material_id stringlengths 4 10 | structure stringlengths 81 16.5k | energy_above_hull float64 -0 9.71 | formation_energy_per_atom float64 -5.15 8.99 | is_stable bool 2
classes | band_gap float64 0 17.9 | is_metal bool 2
classes | efermi float64 -14.02 19.4 ⌀ | bulk_modulus stringlengths 5 85 ⌀ | shear_modulus stringlengths 4 75 ⌀ | homogeneous_poisson float64 -179.36 82.9 ⌀ | description stringlengths 152 69.2k | formula_pretty stringlengths 1 25 | thermal_expansion_300k float64 -0.06 0.02 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-2715499 | P1
16.23148091 9.40687888 9.44371915
90 126.794 90
Na 1 0.25617243 0.72663115 0.01362481
Na 1 0.75617243 0.77336885 0.51362481
Na 1 0.75617243 0.22663115 0.01362481
Na 1 0.25617243 0.27336885 0.51362481
Na 1 0.50164644 0.08881704 0.73961816
Na 1 0.50164644 0.91118296 0.23961816
Na 1 0.00164644 0.58881704 0.73961816
Na ... | 0.147674 | -2.948234 | false | 2.065 | false | 1.606882 | null | null | null | Na₃LaTiSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 6-coordinate geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.31-2.96 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 6-coordinate geomet... | Na3LaTiSi(PO6)2 | null |
mp-2715500 | P1
8.96904775 8.96904744 22.10777163
88.9593 91.0407 119.643
Na 1 0.99808462 0.99591142 0.49345941
Na 1 0.00408858 0.00191538 0.99345941
Na 1 0.66475162 0.32924442 0.82679241
Na 1 0.67075558 0.33524838 0.32679241
Na 1 0.33141762 0.66257842 0.16012641
Na 1 0.33742158 0.66858238 0.66012641
Na 1 0.64160654 0.00950692 0.24... | 0.070108 | -2.755749 | false | 2.5756 | false | 1.687732 | null | null | null | Na₃NbGaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.37-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coor... | Na3NbGaSi2PO12 | null |
mp-2715501 | P1
9.05937510 9.05937479 22.40205037
90.2667 89.7333 119.982
Na 1 0.00237775 0.99355223 0.49769075
Na 1 0.00644777 0.99762225 0.99769075
Na 1 0.66652881 0.32516087 0.83127312
Na 1 0.67483913 0.33347119 0.33127312
Na 1 0.35165048 0.67535415 0.16412808
Na 1 0.32464585 0.64834952 0.66412808
Na 1 0.36150453 0.36062139 0.24... | 0.041309 | -2.806904 | false | 2.7076 | false | 2.06769 | null | null | null | Na₃ScSnSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are nine inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.42-2.64 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | Na3ScSiSn(PO6)2 | null |
mp-2715503 | P1
15.35080669 8.92542990 8.96443612
90 125.573 90
Na 1 0.25244156 0.73122258 0.99889368
Na 1 0.75244156 0.76877742 0.49889368
Na 1 0.75244156 0.23122258 0.99889368
Na 1 0.25244156 0.26877742 0.49889368
Na 1 0.50483906 0.10130691 0.75538353
Na 1 0.50483906 0.89869309 0.25538353
Na 1 0.00483906 0.60130691 0.75538353
Na ... | 0.097076 | -2.758514 | false | 2.2162 | false | 1.876608 | null | null | null | Na₃ScGeSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.31-2.63 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coo... | Na3ScSiGe(PO6)2 | null |
mp-2715505 | P1
8.81750375 8.81750347 22.11526330
89.989 90.011 120.002
Na 1 0.00050762 0.99796428 0.49843679
Na 1 0.00203572 0.99949238 0.99843679
Na 1 0.66700721 0.33043742 0.83188096
Na 1 0.66956258 0.33299279 0.33188096
Na 1 0.34325421 0.67252479 0.16511997
Na 1 0.32747521 0.65674579 0.66511997
Na 1 0.36534747 0.36509129 0.2490... | 0.047412 | -2.777579 | false | 2.4316 | false | 1.875478 | null | null | null | Na₃TiGaSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are nine inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.48-2.60 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | Na3TiGaSi(PO6)2 | null |
mp-2715508 | P1
9.42893905 9.42893870 22.11851810
92.9626 87.0374 121.014
Na 1 0.00170136 0.98410668 0.50271796
Na 1 0.01589332 0.99829864 0.00271796
Na 1 0.67928318 0.31896179 0.83427433
Na 1 0.68103821 0.32071682 0.33427433
Na 1 0.38627611 0.69831953 0.16888633
Na 1 0.30168047 0.61372389 0.66888633
Na 1 0.34069871 0.33675691 0.24... | 0.196816 | -2.687376 | false | 1.4129 | false | 1.933481 | null | null | null | Na₃LaGeSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are nine inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 5-coordinate geometry to five O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.26-2.97 Å. In the second Na¹⁺ site, Na¹⁺ is bonded to five O²⁻ atoms to for... | Na3LaSiGe(PO6)2 | null |
mp-2715510 | P1
15.43652169 26.58644432 8.92035977
90 124.994 90
Na 1 0.25713439 0.25391534 0.00607386
Na 1 0.24992432 0.58695630 0.01675412
Na 1 0.25102930 0.91755540 0.01825235
Na 1 0.75713439 0.24608466 0.50607386
Na 1 0.75102930 0.58244460 0.51825235
Na 1 0.74992432 0.91304370 0.51675412
Na 1 0.74992432 0.08695630 0.01675412
Na... | 0.069783 | -2.910168 | false | 2.3186 | false | 4.102503 | null | null | null | Na₃NbAlSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are nine inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.34-2.59 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distort... | Na3NbAlSi2PO12 | null |
mp-2715512 | P1
15.08950624 8.76136994 8.83026805
90 125.375 90
Na 1 0.25093279 0.72895293 0.99509105
Na 1 0.75093279 0.77104707 0.49509105
Na 1 0.75093279 0.22895293 0.99509105
Na 1 0.25093279 0.27104707 0.49509105
Na 1 0.50469925 0.11472721 0.75685872
Na 1 0.50469925 0.88527279 0.25685872
Na 1 0.00469925 0.61472721 0.75685872
Na ... | 0.093529 | -2.528752 | false | 2.6646 | false | 2.076853 | null | null | null | Na₃GaGeSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.29-2.58 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coo... | Na3GaSiGe(PO6)2 | null |
mp-2715514 | P1
15.67927196 9.07212367 9.08177843
90 125.168 90
Na 1 0.25209091 0.72489274 0.99808967
Na 1 0.75209091 0.77510726 0.49808967
Na 1 0.75209091 0.22489274 0.99808967
Na 1 0.25209091 0.27510726 0.49808967
Na 1 0.50675580 0.10595252 0.76308416
Na 1 0.50675580 0.89404748 0.26308416
Na 1 0.00675580 0.60595252 0.76308416
Na ... | 0.041695 | -2.806519 | false | 2.7911 | false | 1.931063 | null | null | null | Na₃ScSnSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.35-2.66 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coo... | Na3ScSiSn(PO6)2 | null |
mp-2715517 | P1
15.18658696 8.76060365 8.79412754
90 124.84 90
Na 1 0.25182815 0.72387404 0.99712911
Na 1 0.75182815 0.77612596 0.49712911
Na 1 0.75182815 0.22387404 0.99712911
Na 1 0.25182815 0.27612596 0.49712911
Na 1 0.50120581 0.11264353 0.75534219
Na 1 0.50120581 0.88735647 0.25534219
Na 1 0.00120581 0.61264353 0.75534219
Na 1... | 0.046828 | -2.934535 | false | 2.3908 | false | 2.289362 | null | null | null | Na₃TiAlSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.29-2.66 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coo... | Na3TiAlSi(PO6)2 | null |
mp-2715521 | P1
9.16554308 9.16554275 22.79376024
89.9058 90.0942 119.844
Na 1 0.63988539 0.00422488 0.25043130
Na 1 0.36819840 0.36654075 0.24773480
Na 1 0.99272394 0.62833275 0.24986616
Na 1 0.63345925 0.63180160 0.74773480
Na 1 0.99577512 0.36011461 0.75043130
Na 1 0.37166725 0.00727606 0.74986616
Na 1 0.30655239 0.33755788 0.58... | 0.018658 | -3.095097 | false | 4.1143 | false | 1.808631 | null | null | null | Na₄ScHfSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.45-2.93 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4HfScSi2PO12 | null |
mp-2715522 | P1
9.22380795 9.22379786 22.60179980
91.6555 88.3445 120.658
Na 1 0.63741440 0.00246126 0.25174712
Na 1 0.36906311 0.37042178 0.24812705
Na 1 0.99538269 0.62861332 0.25063937
Na 1 0.62957823 0.63093688 0.74812694
Na 1 0.99753840 0.36258609 0.75174703
Na 1 0.37138772 0.00461782 0.75063932
Na 1 0.30408118 0.33579951 0.58... | 0.131223 | -2.723909 | false | 1.6324 | false | 1.810129 | null | null | null | Na₄YGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.42-2.99 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometr... | Na4YSi2GePO12 | null |
mp-2715526 | P1
8.79014392 8.69402697 22.55109954
92.9377 90 120.366
Na 1 0.01395898 0.01160544 0.49607826
Na 1 0.99764646 0.01160544 0.99607826
Na 1 0.68062598 0.34493844 0.82941126
Na 1 0.66431346 0.34493844 0.32941126
Na 1 0.34729198 0.67827244 0.16274526
Na 1 0.33097946 0.67827244 0.66274526
Ta 1 0.00162454 0.99421317 0.6433535... | 0.086312 | -2.643281 | false | 3.2189 | false | 0.895035 | null | null | null | NaTaGeSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.37-2.79 Å. Ta⁵⁺ is bonded to six O²⁻ atoms to form TaO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaTaSi2GeSO12 | null |
mp-2715528 | P1
8.85523983 8.85014070 22.83638097
91.0867 90 120.019
Na 1 0.02691797 0.01322938 0.49652602
Na 1 0.98631141 0.01322938 0.99652602
Na 1 0.69358497 0.34656238 0.82985902
Na 1 0.65297841 0.34656238 0.32985902
Na 1 0.36025097 0.67989638 0.16319302
Na 1 0.31964441 0.67989638 0.66319302
Ta 1 0.99581349 0.99294665 0.6439760... | 0.074295 | -2.647103 | false | 3.3097 | false | 1.377105 | null | null | null | NaTaSnSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.42-2.81 Å. Ta⁵⁺ is bonded to six O²⁻ atoms to form TaO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaTaSi2SnSO12 | null |
mp-2715530 | P1
8.85959789 8.87273692 22.44987390
88.7799 90 119.951
Na 1 0.98000398 0.97917776 0.49956889
Na 1 -0.00082622 0.97917776 0.99956889
Na 1 0.65175031 0.31163252 0.83382220
Na 1 0.65988321 0.31163252 0.33382220
Na 1 0.32757179 0.67738438 0.16741072
Na 1 0.34981160 0.67738438 0.66741072
Ca 1 0.99859766 0.99785859 0.641203... | 0.140229 | -2.246558 | false | 0.6364 | false | 0.893683 | null | null | null | NaCaGeP(SO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.41-2.88 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distort... | NaCaGeP(SO6)2 | null |
mp-2715542 | P1
9.13629338 9.13629306 22.10739320
89.6386 90.3614 119.377
Na 1 0.64982888 0.02267471 0.24693938
Na 1 0.37804309 0.35835511 0.24114827
Na 1 0.97041512 0.61480474 0.24465221
Na 1 0.64164489 0.62195691 0.74114827
Na 1 0.97732529 0.35017112 0.74693938
Na 1 0.38519526 0.02958488 0.74465221
Na 1 0.31649588 0.35600771 0.58... | 0.085329 | -2.717305 | false | 2.6805 | false | 2.277548 | null | null | null | Na₄TaZnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.36-3.05 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4TaZnSi2PO12 | null |
mp-2715544 | P1
9.28483650 9.28483616 22.49333425
90.669 89.331 120.033
Na 1 0.64004504 0.00491259 0.25120979
Na 1 0.36992248 0.37217049 0.24667816
Na 1 0.99200413 0.62726549 0.24887070
Na 1 0.62782951 0.63007752 0.74667816
Na 1 0.99508741 0.35995496 0.75120979
Na 1 0.37273451 0.00799587 0.74887070
Na 1 0.30671204 0.33824559 0.5845... | 0.07668 | -2.978897 | false | 2.174 | false | 1.797948 | null | null | null | Na₄YTiSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.43-3.05 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometr... | Na4YTiSi2PO12 | null |
mp-2715547 | P1
8.95345967 8.94092546 23.13745965
90.2221 90 120.046
Na 1 0.01993772 0.01165161 0.49797955
Na 1 0.99171388 0.01165161 0.99797955
Na 1 0.68660472 0.34498461 0.83131255
Na 1 0.65838088 0.34498461 0.33131255
Na 1 0.35327072 0.67831861 0.16464655
Na 1 0.32504688 0.67831861 0.66464655
Zr 1 0.01194578 0.99175661 0.3552160... | 0.053699 | -2.959148 | false | 3.4013 | false | 0.737786 | null | null | null | NaZrTaSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.50-2.81 Å. Zr⁴⁺ is bonded to six O²⁻ atoms to form ZrO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaZrTaSi2SO12 | null |
mp-2715563 | P1
8.82228822 8.81186451 22.94313251
90.1595 90 120.039
Na 1 0.00155612 0.00259873 0.49883639
Na 1 0.00104261 0.00259873 0.99883639
Na 1 0.66921444 0.33554676 0.83217800
Na 1 0.66633332 0.33554676 0.33217800
Na 1 0.33406448 0.66513069 0.16542763
Na 1 0.33106521 0.66513069 0.66542763
Nb 1 0.00025138 0.99954422 0.6453056... | 0.02192 | -2.755946 | false | 2.5558 | false | 1.21597 | null | null | null | NaNbSnSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.55-2.67 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaNbSiSn(PO6)2 | null |
mp-2715564 | P1
8.84473088 8.82732485 23.07586217
90.1969 90 120.065
Na 1 0.98608916 0.98984865 0.50682240
Na 1 0.00375950 0.98984865 0.00682240
Na 1 0.65929690 0.31835966 0.84042033
Na 1 0.65906376 0.31835966 0.34042033
Na 1 0.32572398 0.67255291 0.17376953
Na 1 0.34682794 0.67255291 0.67376953
Zr 1 0.00263332 0.00070259 0.3531418... | 0.032423 | -2.429026 | false | 3.5023 | false | 0.657683 | null | null | null | NaZrZnP(SO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.38-2.83 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distort... | NaZrZnP(SO6)2 | null |
mp-2715568 | P1
8.89288114 8.88097628 23.13999203
90.0519 90 120.044
Na 1 0.00317103 0.00494075 0.49832126
Na 1 0.00176971 0.00494075 0.99832126
Na 1 0.67039343 0.33724692 0.83177876
Na 1 0.66685449 0.33724692 0.33177876
Na 1 0.33504549 0.66523228 0.16495610
Na 1 0.33018580 0.66523228 0.66495610
Zr 1 0.99966388 0.99807426 0.3539713... | 0.027776 | -3.132928 | false | 3.326 | false | 0.723264 | null | null | null | NaZrTaSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.55-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaZrTaSi(PO6)2 | null |
mp-2715571 | P1
9.38031565 9.38031530 22.91096633
90.1376 89.8624 119.918
Na 1 0.64541068 0.00681781 0.25153032
Na 1 0.36993368 0.36949659 0.24402468
Na 1 0.98745120 0.62425296 0.24943679
Na 1 0.63050341 0.63006632 0.74402468
Na 1 0.99318219 0.35458932 0.75153032
Na 1 0.37574704 0.01254880 0.74943679
Na 1 0.31207768 0.34015081 0.58... | 0.040631 | -3.055744 | false | 3.9456 | false | 1.577243 | null | null | null | Na₄YZrSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.52-3.05 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometr... | Na4YZrSi2PO12 | null |
mp-2715582 | P1
8.92730916 8.92223591 23.23534071
89.9894 90 120.019
Na 1 0.00207544 0.00294293 0.49899700
Na 1 0.00086750 0.00294293 0.99899700
Na 1 0.66880446 0.33586169 0.83239184
Na 1 0.66705823 0.33586169 0.33239184
Na 1 0.33394438 0.66564299 0.16558619
Na 1 0.33169760 0.66564299 0.66558619
Zr 1 0.99989845 0.99813667 0.3535395... | 0.032603 | -3.064204 | false | 2.4984 | false | 0.557315 | null | null | null | NaZrNbSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.59-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaZrNbSi(PO6)2 | null |
mp-2715586 | P1
9.58993402 9.58993366 22.56456741
90.1433 89.8567 119.777
Na 1 0.64694125 0.00747748 0.24951064
Na 1 0.36189999 0.36788072 0.24140700
Na 1 0.99016582 0.62817185 0.24713269
Na 1 0.63211928 0.63810001 0.74140700
Na 1 0.99252252 0.35305875 0.74951064
Na 1 0.37182815 0.00983418 0.74713269
Na 1 0.31360825 0.34081048 0.58... | 0.072726 | -3.025452 | false | 3.624 | false | 2.225708 | null | null | null | Na₄LaZrSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometry to seven O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-3.04 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geomet... | Na4LaZrSi2PO12 | null |
mp-2715587 | P1
8.88318509 8.88404748 22.92452985
90.8568 90 119.997
Na 1 0.02296392 0.01069654 0.49652290
Na 1 0.98773262 0.01069654 0.99652290
Na 1 0.68963092 0.34402954 0.82985590
Na 1 0.65439962 0.34402954 0.32985590
Na 1 0.35629692 0.67736354 0.16318990
Na 1 0.32106562 0.67736354 0.66318990
Nb 1 0.99558002 0.99256386 0.6437998... | 0.078886 | -2.581776 | false | 2.6549 | false | 1.161616 | null | null | null | NaNbSnSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.43-2.80 Å. Nb⁵⁺ is bonded to six O²⁻ atoms to form NbO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaNbSi2SnSO12 | null |
mp-2715597 | P1
9.01960414 9.01960384 21.90698030
91.1974 88.8026 120.322
Na 1 0.63785082 0.00507264 0.25083827
Na 1 0.36922864 0.36680832 0.24698317
Na 1 0.99256878 0.62676055 0.25059580
Na 1 0.63319168 0.63077136 0.74698317
Na 1 0.99492736 0.36214918 0.75083827
Na 1 0.37323945 0.00743122 0.75059580
Na 1 0.30451782 0.33840564 0.58... | 0.07873 | -2.768523 | false | 2.3719 | false | 2.32815 | null | null | null | Na₄ScGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-2.95 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ScSi2GePO12 | null |
mp-2715603 | P1
8.84953334 8.79041957 22.71830058
91.1015 90 120.223
Na 1 0.00877034 0.00693604 0.49740926
Na 1 0.99816570 0.00693604 0.99740926
Na 1 0.67543734 0.34026904 0.83074226
Na 1 0.66483270 0.34026904 0.33074226
Na 1 0.34210334 0.67360304 0.16407626
Na 1 0.33149870 0.67360304 0.66407626
Ta 1 0.00017336 0.99482970 0.6452030... | 0.043589 | -2.914057 | false | 3.2534 | false | 0.828209 | null | null | null | NaTiTaSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.50-2.73 Å. Ti⁴⁺ is bonded to six O²⁻ atoms to form distorted TiO₆ octahedra that share corners with two equivalent SO₄ tetrahedr... | NaTaTiSi2SO12 | null |
mp-2715612 | P1
8.80538842 8.79033357 22.89775265
90.2234 90 120.057
Na 1 0.00172350 0.00319282 0.49860611
Na 1 0.00146932 0.00319282 0.99860611
Na 1 0.66979776 0.33590871 0.83193739
Na 1 0.66611195 0.33590871 0.33193739
Na 1 0.33454799 0.66497650 0.16519945
Na 1 0.33042751 0.66497650 0.66519945
Ta 1 0.00043123 0.99985334 0.6454076... | 0.022437 | -2.824246 | false | 3.3753 | false | 1.35369 | null | null | null | NaTaSnSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.53-2.67 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaTaSiSn(PO6)2 | null |
mp-2715628 | P1
8.85931742 8.85941020 23.10616714
89.9319 90 120
Na 1 0.00209078 0.00325487 0.49896153
Na 1 0.00116409 0.00325487 0.99896153
Na 1 0.66910413 0.33595227 0.83237449
Na 1 0.66684914 0.33595227 0.33237449
Na 1 0.33419501 0.66556582 0.16555164
Na 1 0.33136981 0.66556582 0.66555164
Hf 1 0.00000279 0.99820563 0.35359696
Hf... | 0.028033 | -3.110251 | false | 2.556 | false | 0.610514 | null | null | null | NaHfNbSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.57-2.68 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaHfNbSi(PO6)2 | null |
mp-2715643 | P1
9.52699859 9.52699823 22.61520373
90.6895 89.3105 120.064
Na 1 0.64272690 0.00543928 0.25111872
Na 1 0.36549163 0.36954610 0.24437844
Na 1 0.99300581 0.62663757 0.24982135
Na 1 0.63045390 0.63450837 0.74437844
Na 1 0.99456072 0.35727310 0.75111872
Na 1 0.37336243 0.00699419 0.74982135
Na 1 0.30939390 0.33877228 0.58... | 0.101459 | -2.749264 | false | 1.6973 | false | 2.830001 | null | null | null | Na₄LaSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometry to seven O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-2.95 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geomet... | Na4LaSi2SnPO12 | null |
mp-2715650 | P1
8.92243884 8.90320280 23.09145317
90.2608 90 120.071
Na 1 0.01926629 0.01149210 0.49795318
Na 1 0.99222581 0.01149210 0.99795318
Na 1 0.68593329 0.34482510 0.83128618
Na 1 0.65889281 0.34482510 0.33128618
Na 1 0.35259929 0.67815910 0.16462018
Na 1 0.32555881 0.67815910 0.66462018
Hf 1 0.01136397 0.99279807 0.3550842... | 0.044795 | -3.001224 | false | 3.4118 | false | 0.741074 | null | null | null | NaHfTaSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.50-2.79 Å. Hf⁴⁺ is bonded to six O²⁻ atoms to form HfO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaHfTaSi2SO12 | null |
mp-2715664 | P1
8.87426455 8.87426425 23.01691461
89.9053 90.0947 119.864
Na 1 0.00393007 0.99658637 0.49971686
Na 1 0.00341363 0.99606993 0.99971686
Na 1 0.66706217 0.32237756 0.82928792
Na 1 0.67762244 0.33293783 0.32928792
Na 1 0.32437732 0.65518989 0.16476871
Na 1 0.34481011 0.67562268 0.66476871
Mg 1 0.65620084 0.32070932 0.68... | 0.071887 | -2.769092 | false | 1.8665 | false | 1.377522 | null | null | null | Na₃MgNb₅Si₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.60-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distorted he... | Na3MgNb5Si6(SO12)3 | null |
mp-2715671 | P1
8.63253321 8.62451237 22.24997240
90.4398 90 120.031
Na 1 0.00089402 0.00573932 0.49527068
Na 1 0.00484530 0.00573932 0.99527068
Na 1 0.67108473 0.33529032 0.82882177
Na 1 0.66420659 0.33529032 0.32882177
Na 1 0.33739959 0.66789604 0.16195674
Na 1 0.33049544 0.66789604 0.66195674
Ta 1 0.00227142 0.00027616 0.6423919... | 0.047386 | -2.800982 | false | 3.2277 | false | 1.289579 | null | null | null | NaTaGeSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.39-2.69 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaTaSiGe(PO6)2 | null |
mp-2715675 | P1
8.84795048 8.84285285 23.01861910
89.9889 90 120.019
Na 1 0.00267523 0.00454997 0.49851605
Na 1 0.00187474 0.00454997 0.99851605
Na 1 0.67019809 0.33679978 0.83195806
Na 1 0.66660269 0.33679978 0.33195806
Na 1 0.33507741 0.66533774 0.16515669
Na 1 0.33025932 0.66533774 0.66515669
Hf 1 0.99991335 0.99831305 0.3538615... | 0.02351 | -3.178672 | false | 3.3579 | false | 0.696579 | null | null | null | NaHfTaSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.54-2.69 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaHfTaSi(PO6)2 | null |
mp-2715682 | P1
8.73469023 8.72225251 22.68612839
90.2411 90 120.047
Na 1 0.00052371 0.00160241 0.49740656
Na 1 0.00107869 0.00160241 0.99740656
Na 1 0.66726880 0.33388170 0.83087468
Na 1 0.66661389 0.33388170 0.33087468
Na 1 0.33464748 0.66788673 0.16413489
Na 1 0.33323825 0.66788673 0.66413489
Ta 1 0.00237663 -0.00002005 0.645308... | 0.012154 | -3.075079 | false | 2.7369 | false | 1.045972 | null | null | null | NaTiTaSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.51-2.67 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaTaTiSi(PO6)2 | null |
mp-2715684 | P1
9.34672243 9.34672208 22.84674772
90.7105 89.2895 120.128
Na 1 0.64178672 0.00464645 0.25175234
Na 1 0.36833507 0.36866208 0.24545574
Na 1 0.99159730 0.62629260 0.25053118
Na 1 0.63133792 0.63166493 0.74545574
Na 1 0.99535355 0.35821328 0.75175234
Na 1 0.37370740 0.00840270 0.75053118
Na 1 0.30845372 0.33797945 0.58... | 0.059112 | -2.788921 | false | 2.2938 | false | 2.121637 | null | null | null | Na₄YSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.49-3.04 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometr... | Na4YSi2SnPO12 | null |
mp-2715690 | P1
8.97871536 8.97871505 22.15395563
89.4549 90.5451 119.47
Na 1 0.63970361 0.00394909 0.25014472
Na 1 0.36899062 0.36678750 0.24648587
Na 1 0.99189819 0.62681887 0.24961353
Na 1 0.63321250 0.63100938 0.74648587
Na 1 0.99605091 0.36029639 0.75014472
Na 1 0.37318113 0.00810181 0.74961353
Na 1 0.30637061 0.33728209 0.583... | 0.050609 | -3.006059 | false | 4.2037 | false | 2.229448 | null | null | null | Na₄HfAlSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.36-2.88 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4HfAlSi2PO12 | null |
mp-2715691 | P1
8.92878116 8.92878086 23.05207067
90.1262 89.8738 119.989
Na 1 0.00511665 0.99463584 0.50007257
Na 1 0.00536416 0.99488335 0.00007257
Na 1 0.66739897 0.31669572 0.83092458
Na 1 0.68330428 0.33260103 0.33092458
Na 1 0.31424090 0.64308995 0.16308574
Na 1 0.35691005 0.68575910 0.66308574
Ca 1 0.65766570 0.32210009 0.68... | 0.07428 | -2.893441 | false | 2.5999 | false | 1.227875 | null | null | null | Na₃CaTa₅Si₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.59-2.73 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 6-... | Na3CaTa5Si6(SO12)3 | null |
mp-2715694 | P1
9.09500836 9.09500805 22.13486813
89.9017 90.0983 119.681
Na 1 0.64913362 0.01718163 0.24911152
Na 1 0.37822545 0.36291429 0.24207291
Na 1 0.97346182 0.61610489 0.24519538
Na 1 0.63708571 0.62177455 0.74207291
Na 1 0.98281837 0.35086638 0.74911152
Na 1 0.38389511 0.02653818 0.74519538
Na 1 0.31580062 0.35051463 0.58... | 0.06262 | -2.866674 | false | 2.7792 | false | 2.323941 | null | null | null | Na₄MgTaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.38-2.97 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4MgTaSi2PO12 | null |
mp-2715703 | P1
8.87684849 8.87684819 22.99797160
89.6325 90.3675 119.764
Na 1 0.00339143 0.99700681 0.49965698
Na 1 0.00299319 0.99660857 0.99965698
Na 1 0.66703404 0.32438312 0.82898888
Na 1 0.67561688 0.33296596 0.32898888
Na 1 0.32553027 0.65672954 0.16499775
Na 1 0.34327046 0.67446973 0.66499775
Nb 1 0.99449623 0.00784383 0.35... | 0.070718 | -2.710514 | false | 1.8297 | false | 1.215853 | null | null | null | Na₃Nb₅ZnSi₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.60-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a di... | Na3Nb5ZnSi6(SO12)3 | null |
mp-2715705 | P1
8.84633558 8.84633529 22.90454691
89.902 90.098 119.878
Na 1 0.00245380 0.99668072 0.49983922
Na 1 0.00331928 0.99754620 0.99983922
Na 1 0.66703546 0.32502831 0.83068298
Na 1 0.67497169 0.33296454 0.33068298
Na 1 0.32533022 0.65664805 0.16495873
Na 1 0.34335195 0.67466978 0.66495873
Mg 1 0.65708410 0.32237221 0.6850... | 0.065202 | -2.877041 | false | 2.4426 | false | 1.619871 | null | null | null | Na₃MgTa₅Si₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.60-2.69 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distorted he... | Na3MgTa5Si6(SO12)3 | null |
mp-2715711 | P1
8.84363849 8.84363819 22.93312959
89.5132 90.4868 119.745
Na 1 0.00349754 0.99523709 0.49967118
Na 1 0.00476291 0.99650246 0.99967118
Na 1 0.66712245 0.32299318 0.82873124
Na 1 0.67700682 0.33287755 0.32873124
Na 1 0.32213474 0.65287289 0.16442670
Na 1 0.34712711 0.67786526 0.66442670
Ta 1 0.99520434 0.00774581 0.35... | 0.060698 | -2.821761 | false | 2.5272 | false | 1.480482 | null | null | null | Na₃Ta₅ZnSi₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.59-2.70 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a di... | Na3Ta5ZnSi6(SO12)3 | null |
mp-2715712 | P1
9.31435228 9.31435193 22.36537593
90.1188 89.8812 119.624
Na 1 0.65542270 0.02268373 0.24922376
Na 1 0.37520547 0.35974293 0.24169527
Na 1 0.96906583 0.61755114 0.24453290
Na 1 0.64025707 0.62479453 0.74169527
Na 1 0.97731627 0.34457730 0.74922376
Na 1 0.38244886 0.03093417 0.74453290
Na 1 0.32208970 0.35601673 0.58... | 0.110227 | -2.873832 | false | 2.5673 | false | 2.134476 | null | null | null | Na₄CaTaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.37-3.07 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geomet... | Na4CaTaSi2PO12 | null |
mp-2715717 | P1
9.07089849 9.07089819 22.04904079
91.1233 88.8767 120.354
Na 1 0.63829711 0.00478906 0.25112365
Na 1 0.37000595 0.36802452 0.24711170
Na 1 0.99157103 0.62643021 0.25007733
Na 1 0.63197548 0.62999405 0.74711170
Na 1 0.99521094 0.36170289 0.75112365
Na 1 0.37356979 0.00842897 0.75007733
Na 1 0.30496411 0.33812206 0.58... | 0.095386 | -2.50445 | false | 2.0972 | false | 2.534459 | null | null | null | Na₄InGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.41-2.93 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4InSi2GePO12 | null |
mp-2715722 | P1
8.95509290 8.96035230 23.11893905
89.8761 90 119.981
Na 1 0.01563785 0.00931681 0.49834584
Na 1 0.99367895 0.00931681 0.99834584
Na 1 0.68230485 0.34264981 0.83167884
Na 1 0.66034595 0.34264981 0.33167884
Na 1 0.34897085 0.67598381 0.16501284
Na 1 0.32701195 0.67598381 0.66501284
Hf 1 0.01054313 0.99307670 0.3546165... | 0.048438 | -2.936845 | false | 2.6159 | false | 0.58613 | null | null | null | NaHfNbSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.52-2.77 Å. Hf⁴⁺ is bonded to six O²⁻ atoms to form HfO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaHfNbSi2SO12 | null |
mp-2715724 | P1
8.86377585 8.86377556 21.81244086
90.0895 89.9105 119.723
Na 1 0.63671651 0.00156714 0.25044375
Na 1 0.36893894 0.36870612 0.24778142
Na 1 0.99456368 0.62851861 0.24960731
Na 1 0.63129388 0.63106106 0.74778142
Na 1 0.99843286 0.36328349 0.75044375
Na 1 0.37148139 0.00543632 0.74960731
Na 1 0.30338351 0.33490014 0.58... | 0.054184 | -2.933237 | false | 2.5821 | false | 2.632087 | null | null | null | Na₄TiAlSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.35-2.86 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4TiAlSi2PO12 | null |
mp-2715727 | P1
9.49906885 9.49906849 21.90968438
90.716 89.284 119.965
Na 1 0.64219285 0.00515733 0.24869487
Na 1 0.36453149 0.37282801 0.24552808
Na 1 0.99405376 0.62967483 0.24680270
Na 1 0.62717199 0.63546851 0.74552808
Na 1 0.99484267 0.35780715 0.74869487
Na 1 0.37032517 0.00594624 0.74680270
Na 1 0.30885985 0.33849033 0.5820... | 0.125802 | -2.938337 | false | 1.8904 | false | 2.585834 | null | null | null | Na₄LaTiSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometry to seven O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.34-2.98 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 3-coordinate geomet... | Na4LaTiSi2PO12 | null |
mp-2715732 | P1
8.84682736 8.84682707 21.66188685
90.7321 89.2679 120.008
Na 1 0.63605558 0.00481688 0.25035548
Na 1 0.37133769 0.36771019 0.24656272
Na 1 0.99156737 0.62490034 0.25022894
Na 1 0.63228981 0.62866231 0.74656272
Na 1 0.99518312 0.36394442 0.75035548
Na 1 0.37509966 0.00843263 0.75022894
Na 1 0.30272258 0.33814988 0.58... | 0.080948 | -2.558513 | false | 2.8454 | false | 2.421118 | null | null | null | Na₄GaGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.35-2.87 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4GaSi2GePO12 | null |
mp-2715734 | P1
8.79515560 8.70290885 22.58867920
91.9157 90 120.351
Na 1 0.00768081 0.00547496 0.49757026
Na 1 0.99779416 0.00547496 0.99757026
Na 1 0.67434781 0.33880796 0.83090326
Na 1 0.66446116 0.33880796 0.33090326
Na 1 0.34101381 0.67214196 0.16423726
Na 1 0.33112716 0.67214196 0.66423726
Nb 1 0.00031963 0.99527967 0.6443385... | 0.099798 | -2.569059 | false | 2.8213 | false | 0.922356 | null | null | null | NaNbGeSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.42-2.72 Å. Nb⁵⁺ is bonded to six O²⁻ atoms to form NbO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaNbSi2GeSO12 | null |
mp-2715738 | P1
8.64501782 8.63776796 22.32600740
90.3228 90 120.028
Na 1 0.00066058 0.00321561 0.49646572
Na 1 0.00255503 0.00321561 0.99646572
Na 1 0.66928839 0.33462930 0.82991741
Na 1 0.66534191 0.33462930 0.32991741
Na 1 0.33526243 0.66717350 0.16304869
Na 1 0.33191007 0.66717350 0.66304869
Nb 1 0.00179975 0.00000402 0.6428850... | 0.050932 | -2.728206 | false | 2.7659 | false | 1.105276 | null | null | null | NaNbGeSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.43-2.66 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaNbSiGe(PO6)2 | null |
mp-2715751 | P1
9.08694271 9.06882009 23.02688160
89.7053 90 120.066
Na 1 0.96394595 0.97229555 0.50335344
Na 1 0.00834960 0.97229555 0.00335344
Na 1 0.64426988 0.29575212 0.83737229
Na 1 0.65148324 0.29575212 0.33737229
Na 1 0.31892041 0.68714573 0.17119261
Na 1 0.36822432 0.68714573 0.67119261
Ca 1 0.99138511 0.99551792 0.6453457... | 0.067895 | -2.694232 | false | 3.8097 | false | 0.659619 | null | null | null | NaCaHfP(SO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-2.91 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 6-coord... | NaCaHfP(SO6)2 | null |
mp-2715754 | P1
9.13913470 9.13913438 22.22426752
89.8795 90.1205 119.544
Na 1 0.64538703 0.01811125 0.24780310
Na 1 0.37848359 0.36201680 0.24326363
Na 1 0.97554851 0.61736073 0.24549758
Na 1 0.63798320 0.62151641 0.74326363
Na 1 0.98188875 0.35461297 0.74780310
Na 1 0.38263927 0.02445149 0.74549758
Na 1 0.31205403 0.35144425 0.58... | 0.091698 | -2.658991 | false | 1.7692 | false | 2.311443 | null | null | null | Na₄NbZnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-3.02 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4NbZnSi2PO12 | null |
mp-2715756 | P1
9.53333388 9.53333351 22.53984095
90.0354 89.9646 119.749
Na 1 0.64787340 0.00806496 0.24950292
Na 1 0.36462886 0.36862462 0.24191218
Na 1 0.98806351 0.62662010 0.24745198
Na 1 0.63137538 0.63537114 0.74191218
Na 1 0.99193504 0.35212660 0.74950292
Na 1 0.37337990 0.01193649 0.74745198
Na 1 0.31454040 0.34139796 0.58... | 0.077216 | -3.053062 | false | 3.5598 | false | 2.317052 | null | null | null | Na₄LaHfSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometry to seven O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.39-3.00 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geomet... | Na4LaHfSi2PO12 | null |
mp-2715764 | P1
9.11732697 9.11732665 22.18608137
90.001 89.999 119.742
Na 1 0.64756913 0.01639547 0.24882055
Na 1 0.37764939 0.36320181 0.24249266
Na 1 0.97470698 0.61706154 0.24502642
Na 1 0.63679819 0.62235061 0.74249266
Na 1 0.98360453 0.35243087 0.74882055
Na 1 0.38293846 0.02529302 0.74502642
Na 1 0.31423613 0.34972847 0.5821... | 0.066569 | -2.81078 | false | 2.0213 | false | 2.172773 | null | null | null | Na₄MgNbSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.39-2.99 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4MgNbSi2PO12 | null |
mp-2715772 | P1
9.01226491 9.01226461 22.32065627
90.007 89.993 119.744
Na 1 0.63815755 0.00382028 0.25014275
Na 1 0.36891777 0.36652548 0.24745592
Na 1 0.99315723 0.62781806 0.24986730
Na 1 0.63347452 0.63108223 0.74745592
Na 1 0.99617972 0.36184245 0.75014275
Na 1 0.37218194 0.00684277 0.74986730
Na 1 0.30482455 0.33715328 0.5834... | 0.055244 | -2.577192 | false | 3.0958 | false | 2.435745 | null | null | null | Na₄GaSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.38-2.89 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4GaSi2SnPO12 | null |
mp-2715783 | P1
8.76740647 8.76397465 22.65252708
90.1403 90 120.013
Na 1 0.00030516 0.00117362 0.49706356
Na 1 0.00086846 0.00117362 0.99706356
Na 1 0.66654219 0.33352587 0.83053873
Na 1 0.66698468 0.33352587 0.33053873
Na 1 0.33428370 0.66849440 0.16376012
Na 1 0.33420970 0.66849440 0.66376012
Ti 1 0.99957762 0.99808327 0.3537403... | 0.01863 | -3.004706 | false | 2.5741 | false | 0.845626 | null | null | null | NaTiNbSi(PO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.50-2.67 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distor... | NaTiNbSi(PO6)2 | null |
mp-2715791 | P1
9.26730636 9.26730602 22.62961654
89.7296 90.2704 119.653
Na 1 0.64500332 0.00879116 0.25101366
Na 1 0.37363022 0.36917409 0.24354459
Na 1 0.98302486 0.62065013 0.24891487
Na 1 0.63082591 0.62636978 0.74354459
Na 1 0.99120884 0.35499668 0.75101366
Na 1 0.37934987 0.01697514 0.74891487
Na 1 0.31167032 0.34212416 0.58... | 0.0314 | -2.810824 | false | 2.4837 | false | 2.115148 | null | null | null | Na₄ZrInSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.45-3.01 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ZrInSi2PO12 | null |
mp-2715794 | P1
9.18642340 9.18642307 22.52997524
90.3165 89.6835 119.971
Na 1 0.64077306 0.00535615 0.25105977
Na 1 0.37035678 0.36807964 0.24536970
Na 1 0.98919117 0.62453534 0.24987140
Na 1 0.63192036 0.62964322 0.74536970
Na 1 0.99464385 0.35922694 0.75105977
Na 1 0.37546466 0.01080883 0.74987140
Na 1 0.30744006 0.33868915 0.58... | 0.042427 | -2.549954 | false | 2.6527 | false | 2.74842 | null | null | null | Na₄InSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.47-2.96 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4InSi2SnPO12 | null |
mp-2715799 | P1
9.18917515 9.18917483 22.92430641
89.9666 90.0334 119.897
Na 1 0.63963692 0.00409385 0.25039452
Na 1 0.36817311 0.36666454 0.24781373
Na 1 0.99304155 0.62848385 0.24983914
Na 1 0.63333546 0.63182689 0.74781373
Na 1 0.99590615 0.36036308 0.75039452
Na 1 0.37151615 0.00695845 0.74983914
Na 1 0.30630392 0.33742685 0.58... | 0.024959 | -3.059003 | false | 4.1125 | false | 1.747321 | null | null | null | Na₄ScZrSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.45-2.94 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ZrScSi2PO12 | null |
mp-2715804 | P1
8.99021750 8.98459377 23.26865118
89.9069 90 120.021
Na 1 0.01154492 0.00683293 0.49867797
Na 1 0.99528801 0.00683293 0.99867797
Na 1 0.67821192 0.34016593 0.83201097
Na 1 0.66195501 0.34016593 0.33201097
Na 1 0.34487792 0.67349993 0.16534497
Na 1 0.32862101 0.67349993 0.66534497
Zr 1 0.01098656 0.99200493 0.3541322... | 0.059405 | -2.892705 | false | 2.588 | false | 0.524833 | null | null | null | NaZrNbSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.57-2.78 Å. Zr⁴⁺ is bonded to six O²⁻ atoms to form ZrO₆ octahedra that share corners with two equivalent SO₄ tetrahedra and corn... | NaZrNbSi2SO12 | null |
mp-2715810 | P1
8.85500657 8.80856673 22.80518280
90.7746 90 120.175
Na 1 0.00722124 0.00585224 0.49768803
Na 1 0.99863100 0.00585224 0.99768803
Na 1 0.67388824 0.33918524 0.83102103
Na 1 0.66529800 0.33918524 0.33102103
Na 1 0.34055424 0.67251924 0.16435503
Na 1 0.33196400 0.67251924 0.66435503
Ti 1 0.01725426 0.98776324 0.3543212... | 0.050823 | -2.846087 | false | 2.7588 | false | 0.820546 | null | null | null | NaTiNbSi₂SO₁₂ crystallizes in the monoclinic Cc space group. Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.51-2.72 Å. Ti⁴⁺ is bonded to six O²⁻ atoms to form distorted TiO₆ octahedra that share corners with two equivalent SO₄ tetrahedr... | NaTiNbSi2SO12 | null |
mp-2715819 | P1
8.53487270 8.55201557 22.07845054
89.5061 90 119.934
Na 1 0.98895508 0.99095489 0.50315980
Na 1 0.00199981 0.99095489 0.00315980
Na 1 0.65989038 0.32199236 0.83669370
Na 1 0.66210298 0.32199236 0.33669370
Na 1 0.32823171 0.67313311 0.17018379
Na 1 0.34490040 0.67313311 0.67018379
Zn 1 0.98774614 0.99047983 0.6468397... | 0.079204 | -2.038969 | false | 1.2208 | false | 1.236081 | null | null | null | NaZnGeP(SO₆)₂ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a distorted hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.39-2.57 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distort... | NaZnGeP(SO6)2 | null |
mp-2715820 | P1
8.94946846 8.94946816 23.25914881
90.2365 89.7635 120.074
Na 1 0.00287776 0.99811564 0.49981125
Na 1 0.00188436 0.99712224 0.99981125
Na 1 0.66705313 0.32361317 0.83110386
Na 1 0.67638683 0.33294687 0.33110386
Na 1 0.32604400 0.65712040 0.16509932
Na 1 0.34287960 0.67395600 0.66509932
Ca 1 0.66024030 0.32581563 0.68... | 0.086865 | -2.779628 | false | 1.8035 | false | 1.086978 | null | null | null | Na₃CaNb₅Si₆(SO₁₂)₃ crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a hexagonal planar geometry to six O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.61-2.71 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a distorted he... | Na3CaNb5Si6(SO12)3 | null |
mp-2715821 | P1
8.93455495 8.93455464 21.88412643
90.0222 89.9778 119.628
Na 1 0.63659792 0.00379958 0.25020193
Na 1 0.37134012 0.36902507 0.24708882
Na 1 0.99221294 0.62641445 0.24936466
Na 1 0.63097493 0.62865988 0.74708882
Na 1 0.99620042 0.36340208 0.75020193
Na 1 0.37358555 0.00778706 0.74936466
Na 1 0.30326492 0.33713258 0.58... | 0.054628 | -2.786465 | false | 2.5844 | false | 2.146424 | null | null | null | Na₄TiGaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.37-2.89 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4TiGaSi2PO12 | null |
mp-2716125 | P1
9.09121605 9.09121573 22.35847244
89.3979 90.6021 119.39
Na 1 0.63885096 0.00574269 0.24970141
Na 1 0.37084417 0.36664581 0.24606207
Na 1 0.99065211 0.62569299 0.24942660
Na 1 0.63335419 0.62915583 0.74606207
Na 1 0.99425731 0.36114904 0.74970141
Na 1 0.37430701 0.00934789 0.74942660
Na 1 0.30551796 0.33907569 0.583... | 0.053146 | -2.827911 | false | 3.7298 | false | 1.803603 | null | null | null | Na₄ZrGaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.38-2.94 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ZrGaSi2PO12 | null |
mp-2716132 | P1
9.34961360 9.34961325 22.82806466
90.0261 89.9739 119.809
Na 1 0.64479065 0.00635047 0.25139969
Na 1 0.36972880 0.36876835 0.24477963
Na 1 0.98836842 0.62515882 0.24960511
Na 1 0.63123165 0.63027120 0.74477963
Na 1 0.99364953 0.35520935 0.75139969
Na 1 0.37484118 0.01163158 0.74960511
Na 1 0.31145765 0.33968347 0.58... | 0.043198 | -3.085455 | false | 3.8566 | false | 1.715587 | null | null | null | Na₄YHfSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.51-3.03 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometr... | Na4YHfSi2PO12 | null |
mp-2716142 | P1
9.09516615 9.09516584 22.07851800
90.4881 89.5119 119.965
Na 1 0.63870316 0.00541514 0.25083808
Na 1 0.37164424 0.37016349 0.24664978
Na 1 0.99075311 0.62553879 0.24940824
Na 1 0.62983651 0.62835576 0.74664978
Na 1 0.99458486 0.36129684 0.75083808
Na 1 0.37446121 0.00924689 0.74940824
Na 1 0.30537016 0.33874814 0.58... | 0.039008 | -3.006093 | false | 2.4101 | false | 2.063524 | null | null | null | Na₄ScTiSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.43-2.98 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ScTiSi2PO12 | null |
mp-2716168 | P1
9.15468344 9.15468312 22.43292557
90.3179 89.6821 120.004
Na 1 0.63999118 0.00534392 0.25075444
Na 1 0.36912178 0.36704698 0.24594792
Na 1 0.99122405 0.62525988 0.25053188
Na 1 0.63295302 0.63087822 0.74594792
Na 1 0.99465608 0.36000882 0.75075444
Na 1 0.37474012 0.00877595 0.75053188
Na 1 0.30665818 0.33867692 0.58... | 0.032757 | -2.807472 | false | 2.8185 | false | 2.389175 | null | null | null | Na₄ScSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.45-2.97 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ScSi2SnPO12 | null |
mp-2716182 | P1
9.48053720 9.48053685 21.80287588
91.8072 88.1928 120.623
Na 1 0.64143779 0.00580759 0.24920971
Na 1 0.35904362 0.36467727 0.24577118
Na 1 0.99810936 0.63051989 0.24937080
Na 1 0.63532273 0.64095638 0.74577118
Na 1 0.99419241 0.35856221 0.74920971
Na 1 0.36948011 0.00189064 0.74937080
Na 1 0.30810479 0.33914059 0.58... | 0.181218 | -2.683176 | false | 1.2857 | false | 2.593991 | null | null | null | Na₄LaGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geometry to seven O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.34-2.93 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 7-coordinate geomet... | Na4LaSi2GePO12 | null |
mp-2716193 | P1
8.92505285 8.92505255 22.02000554
90.0831 89.9169 119.751
Na 1 0.63812360 0.00270540 0.25026671
Na 1 0.36817372 0.36691351 0.24713677
Na 1 0.99378090 0.62773751 0.24995806
Na 1 0.63308649 0.63182628 0.74713677
Na 1 0.99729460 0.36187640 0.75026671
Na 1 0.37226249 0.00621910 0.74995806
Na 1 0.30479060 0.33603840 0.58... | 0.058469 | -2.720644 | false | 3.3834 | false | 2.98077 | null | null | null | Na₄AlSnSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.35-2.87 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4AlSi2SnPO12 | null |
mp-2716223 | P1
8.75710823 8.75710796 21.60223849
90.6944 89.3056 120.078
Na 1 0.63685305 0.00175832 0.25055242
Na 1 0.36812529 0.36739757 0.24801929
Na 1 0.99494238 0.62882843 0.25008049
Na 1 0.63260243 0.63187471 0.74801929
Na 1 0.99824168 0.36314695 0.75055242
Na 1 0.37117157 0.00505762 0.75008049
Na 1 0.30352005 0.33509132 0.58... | 0.075521 | -2.710618 | false | 3.0837 | false | 2.772017 | null | null | null | Na₄AlGeSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.33-2.83 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4AlSi2GePO12 | null |
mp-2716227 | P1
9.15631536 9.15631503 22.05700262
90.1243 89.8757 119.832
Na 1 0.64030050 0.00698573 0.25061617
Na 1 0.37121680 0.36954250 0.24489100
Na 1 0.98783838 0.62424597 0.24819301
Na 1 0.63045750 0.62878320 0.74489100
Na 1 0.99301427 0.35969950 0.75061617
Na 1 0.37575403 0.01216162 0.74819301
Na 1 0.30696750 0.34031873 0.58... | 0.0518 | -2.748479 | false | 2.3832 | false | 2.38236 | null | null | null | Na₄TiInSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-3.00 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4TiInSi2PO12 | null |
mp-2716235 | P1
9.21895415 9.21895381 22.58485468
89.747 90.253 119.764
Na 1 0.64329771 0.00698694 0.25077146
Na 1 0.37131806 0.36772076 0.24428522
Na 1 0.98642917 0.62374098 0.24892212
Na 1 0.63227924 0.62868194 0.74428522
Na 1 0.99301306 0.35670229 0.75077146
Na 1 0.37625902 0.01357083 0.74892212
Na 1 0.30996471 0.34031994 0.5841... | 0.026478 | -2.845089 | false | 3.6615 | false | 2.219198 | null | null | null | Na₄HfInSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.46-2.98 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4HfInSi2PO12 | null |
mp-2716236 | P1
9.01893523 9.01893493 22.13047967
89.4003 90.5997 119.422
Na 1 0.63906490 0.00416092 0.24996136
Na 1 0.36976603 0.36732164 0.24570703
Na 1 0.99157686 0.62555897 0.24955757
Na 1 0.63267836 0.63023397 0.74570703
Na 1 0.99583908 0.36093510 0.74996136
Na 1 0.37444103 0.00842314 0.74955757
Na 1 0.30573190 0.33749392 0.58... | 0.060841 | -2.965829 | false | 4.1847 | false | 2.191254 | null | null | null | Na₄ZrAlSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.35-2.91 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4ZrAlSi2PO12 | null |
mp-2716257 | P1
9.36223338 9.36223304 22.48319903
90.2745 89.7255 119.798
Na 1 0.65195337 0.01940843 0.24825686
Na 1 0.37395852 0.36071327 0.24207225
Na 1 0.97383425 0.62053186 0.24394570
Na 1 0.63928673 0.62604148 0.74207225
Na 1 0.98059157 0.34804663 0.74825686
Na 1 0.37946814 0.02616575 0.74394570
Na 1 0.31862037 0.35274143 0.58... | 0.111168 | -2.820946 | false | 1.8018 | false | 2.024494 | null | null | null | Na₄CaNbSi₂PO₁₂ is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.40-3.11 Å. In the second... | Na4CaNbSi2PO12 | null |
mp-2716258 | P1
9.03213588 9.03213557 22.37969938
89.39 90.61 119.407
Na 1 0.63974322 0.00559354 0.24996510
Na 1 0.37007910 0.36637372 0.24680348
Na 1 0.99081278 0.62642428 0.24950435
Na 1 0.63362628 0.62992090 0.74680348
Na 1 0.99440646 0.36025678 0.74996510
Na 1 0.37357572 0.00918722 0.74950435
Na 1 0.30641022 0.33892654 0.583298... | 0.044844 | -2.866211 | false | 3.8025 | false | 1.918569 | null | null | null | Na₄HfGaSi₂PO₁₂ crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Na-O bond distances ranging from 2.37-2.91 Å. In the second Na¹⁺ site, Na¹⁺ is bonded in a 8-coordinate geomet... | Na4HfGaSi2PO12 | null |
mp-42508 | P1
7.71393646 7.71393646 12.61334228
89.9505 89.9505 109.881
Na 1 0.18901700 0.70726500 0.82156700
Na 1 0.13638100 0.02358300 0.48948600
Na 1 0.66265000 0.17882800 0.69052000
Na 1 0.70726500 0.18901700 0.32156700
Na 1 0.17882800 0.66265000 0.19052000
Na 1 0.48294400 0.62458400 0.49675000
Na 1 0.02358300 0.13638100 0.98... | 0.046288 | -2.957018 | false | 4.2766 | false | 0.28039 | null | null | null | Na₄BeAlSi₄O₁₂Cl crystallizes in the monoclinic Cc space group. There are four inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 4-coordinate geometry to three O²⁻ and one Cl¹⁻ atom. There are a spread of Na-O bond distances ranging from 2.36-2.48 Å. The Na-Cl bond length is 2.86 Å. In the second Na¹⁺... | Na4BeAlSi4ClO12 | null |
mp-43068 | P1
9.03960992 9.03960992 9.04404820
89.9915 89.9915 90.044
Na 1 0.81211000 0.30967800 0.19057000
Na 1 0.68887200 0.19042200 0.68945700
Na 1 0.30967800 0.81211000 0.69057000
Na 1 0.68942400 0.80969700 0.30968400
Na 1 0.19042200 0.68887200 0.18945700
Na 1 0.80969700 0.68942400 0.80968400
Al 1 0.49853500 0.49967300 0.7497... | 0 | -2.931985 | true | 3.3353 | false | 0.724393 | null | null | null | Na₃AgAl₃Si₃O₁₂Br crystallizes in the monoclinic Cc space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded to three O²⁻ and one Br¹⁻ atom to form distorted NaBrO₃ tetrahedra that share corners with two NaBrO₃ tetrahedra, corners with three AlO₄ tetrahedra, and corners with three SiO... | Na3Al3Si3AgBrO12 | null |
mp-699455 | P1
9.12325116 9.12325116 8.78119115
85.7986 85.7986 87.6842
Al 1 0.60174200 0.56223800 0.70754700
Al 1 0.56223800 0.60174200 0.20754700
Al 1 0.08174400 0.81583000 0.91858900
Al 1 0.81583000 0.08174400 0.41858900
Al 1 0.10976000 0.32601100 0.90834300
Al 1 0.32601100 0.10976000 0.40834300
P 1 0.84031800 0.56178300 0.9581... | 0.068651 | -1.952804 | false | 4.9789 | false | 0.285747 | null | null | null | Al₃C₃P₃NH₉O₁₄ crystallizes in the monoclinic Cc space group. There are three inequivalent Al³⁺ sites. In the first Al³⁺ site, Al³⁺ is bonded to four O²⁻ atoms to form AlO₄ tetrahedra that share corners with four PO₄ tetrahedra. There are a spread of Al-O bond distances ranging from 1.74-1.77 Å. In the second Al³⁺ site,... | Al3P3H9C3NO14 | null |
mp-707953 | P1
8.51163920 8.51163920 14.67617793
83.053 83.053 82.9162
Zn 1 0.22658200 0.98823100 0.92816600
Zn 1 0.98823100 0.22658200 0.42816600
Zn 1 0.47853800 0.21166100 0.49297400
Zn 1 0.21166100 0.47853800 0.99297400
P 1 0.97027600 0.76234800 0.88716500
P 1 0.76234800 0.97027600 0.38716500
P 1 0.70433100 0.45898500 0.5391320... | 0.055322 | -1.318862 | false | 4.4993 | false | -0.943084 | null | null | null | ZnP₂H₃O₈(CH₃)₂NH₂ crystallizes in the monoclinic Cc space group. The structure consists of eight (CH₃)₂NH₂ clusters inside a ZnP₂H₃O₈ framework. In each (CH₃)₂NH₂ cluster, there are two inequivalent C²⁻ sites. In the first C²⁻ site, C²⁻ is bonded to one N³⁻ and three H¹⁺ atoms to form corner-sharing CH₃N tetrahedra. Th... | ZnP2H11C2NO8 | null |
mp-723020 | P1
5.21351366 5.21351366 21.55810238
88.9928 88.9928 119.931
Al 1 0.94027400 0.74728600 0.65848500
Al 1 0.74728600 0.94027400 0.15848500
Al 1 0.61323400 0.09656900 0.65784300
Al 1 0.09656900 0.61323400 0.15784300
Si 1 0.27152300 0.78095200 0.53115400
Si 1 0.78095200 0.27152300 0.03115400
Si 1 0.93092600 0.10067000 0.53... | 0.370567 | -1.833751 | false | 0 | true | 1.250565 | null | null | null | Al₂Si₂(HO₃)₃C₂NH₂O crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of four C₂NH₂O clusters and two Al₂Si₂(HO₃)₃ sheets oriented in the (0, 0, 1) direction. In each C₂NH₂O cluster, there are two inequivalent C²⁺ sites. In the first C²⁺ site, C²⁺ is bonded in a trigonal planar... | Al2Si2H5C2NO10 | null |
mp-744001 | P1
8.89536250 8.89536250 12.64788142
79.8069 79.8069 116.541
Fe 1 0.07641700 0.66311100 0.83459700
Fe 1 0.66311100 0.07641700 0.33459700
Fe 1 0.02282400 0.92833900 0.60811200
Fe 1 0.92833900 0.02282400 0.10811200
H 1 0.93481800 0.60755600 0.68053900
H 1 0.60755600 0.93481800 0.18053900
H 1 0.44136900 0.19290100 0.67306... | 0.108246 | -1.109048 | false | 2.335 | false | -1.513264 | null | null | null | Fe₂C₄HO₉Cl₂CH₃CH₃NH₂(H₂O)₂ crystallizes in the monoclinic Cc space group. The structure consists of four CH₃ clusters, four CH₃NH₂ clusters, and eight H₂O clusters inside a Fe₂C₄HO₉Cl₂ framework. In each CH₃ cluster, C+1.33+ is bonded in a trigonal non-coplanar geometry to three H¹⁺ atoms. All C-H bond lengths are 1.10... | Fe2H13C6NCl2O11 | null |
mp-757398 | P1
9.66154777 9.66154777 5.62877475
82.6443 82.6443 116.417
Na 1 0.22079000 0.09867900 0.65144400
Na 1 0.09867900 0.22079000 0.15144400
Mn 1 0.45041000 0.94027700 0.88009600
Mn 1 0.94027700 0.45041000 0.38009600
P 1 0.71970200 0.29346000 0.96000900
P 1 0.86064900 0.11313000 0.75031500
P 1 0.29346000 0.71970200 0.460009... | 0.017225 | -1.718113 | false | 3.9037 | false | 1.108411 | null | null | null | NaMnP₂(H₃O₅)₂NH₄ crystallizes in the monoclinic Cc space group. The structure consists of four NH₄ clusters inside a NaMnP₂(H₃O₅)₂ framework. In each NH₄ cluster, N³⁻ is bonded in a tetrahedral geometry to four H¹⁺ atoms. There is one shorter (1.03 Å) and three longer (1.04 Å) N-H bond lengths. There are four inequival... | NaMnP2H10NO10 | null |
mp-760023 | P1
7.45920584 7.45920584 9.59117364
75.1272 75.1272 75.0078
Rb 1 0.46260100 0.54544600 0.73532900
Rb 1 0.54544600 0.46260100 0.23532900
Li 1 0.85321000 0.06902900 0.48195000
Li 1 0.06902900 0.85321000 0.98195000
Mn 1 0.50708900 0.00096900 0.00017300
Mn 1 0.00096900 0.50708900 0.50017300
P 1 0.85148000 0.71708900 0.8111... | 0.018425 | -2.524671 | false | 3.5241 | false | 1.299714 | null | null | null | RbLiMnP₃HO₁₀ crystallizes in the monoclinic Cc space group. Rb¹⁺ is bonded in a 10-coordinate geometry to ten O²⁻ atoms. There are a spread of Rb-O bond distances ranging from 3.10-3.61 Å. Li¹⁺ is bonded in a 4-coordinate geometry to four O²⁻ atoms. There are a spread of Li-O bond distances ranging from 1.93-2.22 Å. Mn... | RbLiMnP3HO10 | null |
mp-1218684 | P1
5.39058329 5.39058329 12.66085003
77.7086 77.7086 90
Sr 1 0.10470500 0.60470500 0.79059000
Sr 1 0.60600400 0.10600400 0.78799200
Sr 1 0.39529600 0.89529600 0.20941000
Sr 1 0.89399700 0.39399600 0.21200800
Ca 1 0.75000000 0.25000000 0.50000000
Y 1 0.25000000 0.75000000 0.50000000
Fe 1 0.00000000 0.00000000 0.00000000... | 0.082351 | -2.173725 | false | 0 | true | 3.840593 | null | null | null | Sr₄CaYFeCu₄PbO₁₄ crystallizes in the tetragonal I̅4m2 space group. There are two inequivalent Sr²⁺ sites. In the first Sr²⁺ site, Sr²⁺ is bonded in a 9-coordinate geometry to one O¹⁻ and eight O²⁻ atoms. The Sr-O bond length is 2.54 Å. There are six shorter (2.72 Å) and two longer (2.78 Å) Sr-O bond lengths. In the sec... | Sr4CaYFeCu4PbO14 | null |
mp-1182654 | P1
11.94861743 11.94861743 7.03689704
77.0987 77.0987 64.0622
Ca 1 0.73035300 0.26964700 0.00000000
Ca 1 0.26964700 0.73035300 0.00000000
Mn 1 0.24048800 0.24048800 0.17071200
Mn 1 0.75951200 0.75951200 0.82928800
Al 1 0.79389100 0.58534500 0.47648600
Al 1 0.58534500 0.79389100 0.47648600
Al 1 0.20610900 0.41465500 0.5... | 0.772157 | -1.984726 | false | 0.7267 | false | 1.700777 | null | null | null | CaMnAl₄SiP₃H₅O₁₈O₂ crystallizes in the monoclinic C2/m space group. The structure consists of four O₂ clusters inside a CaMnAl₄SiP₃H₅O₁₈ framework. In each O₂ cluster, there are two inequivalent O²⁻ sites. In the first O²⁻ site, O²⁻ is bonded in a 1-coordinate geometry to one O²⁻ atom. The O-O bond length is 1.23 Å. In... | CaMnAl4SiP3(HO4)5 | null |
mp-1199709 | P1
10.42803663 10.42803663 7.39681643
70.6405 70.6405 67.4946
Ca 1 0.74339100 0.25660900 0.00000000
Ca 1 0.25660900 0.74339100 0.00000000
Mn 1 0.28552500 0.28552500 0.94723900
Mn 1 0.71447500 0.71447500 0.05276100
Al 1 0.76466000 0.49819700 0.50275200
Al 1 0.49819700 0.76466000 0.50275200
Al 1 0.23534000 0.50180300 0.4... | 0.017442 | -2.739441 | false | 4.8867 | false | 3.285987 | null | null | null | CaMnAl₄SiP₃(HO₄)₅ crystallizes in the monoclinic C2/m space group. Ca²⁺ is bonded in a 8-coordinate geometry to eight O²⁻ atoms. There are a spread of Ca-O bond distances ranging from 2.47-2.91 Å. Mn²⁺ is bonded to seven O²⁻ atoms to form distorted MnO₇ pentagonal bipyramids that share corners with four equivalent PO₄ ... | CaMnAl4SiP3(HO4)5 | null |
mp-1200379 | P1
10.47779391 10.47779391 14.16907815
70.3255 70.3255 83.1503
K 1 0.60274447 0.60274447 0.82586781
K 1 0.39725553 0.39725553 0.17413219
K 1 0.09748131 0.09748131 0.31550715
K 1 0.90251869 0.90251869 0.68449285
Ba 1 0.44209533 0.44209533 0.65844601
Ba 1 0.55790467 0.55790467 0.34155399
Na 1 0.01206495 0.47737106 0.6822... | 0.476425 | -2.388649 | false | 0.0838 | false | 1.233476 | null | null | null | K₄Na₄Ba₂Ti₈Mn(Si₈O₃₃)₂ crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K-O bond distances ranging from 2.77-3.15 Å. In the second K site, K is bonded in a 7-coordinate geometry to sev... | K4Ba2Na4Ti8Mn(Si8O33)2 | null |
mp-1202327 | P1
10.08421867 10.08421867 10.65058877
65.3517 65.3517 41.89
Al 1 0.00000000 0.00000000 0.50000000
Cu 1 0.00000000 0.50000000 0.50000000
Cu 1 0.50000000 0.00000000 0.50000000
Cu 1 0.11212600 0.11212600 0.60995600
Cu 1 0.88787400 0.88787400 0.39004400
Sb 1 0.00000000 0.00000000 0.00000000
Pb 1 0.19046600 0.19046600 0.82... | 0.230894 | -1.252988 | false | 0.1848 | false | 2.750072 | null | null | null | Cu₄AlPb₆SbS₂(O₁₃Cl₂)₂ crystallizes in the monoclinic C2/m space group. There are two inequivalent Cu³⁺ sites. In the first Cu³⁺ site, Cu³⁺ is bonded in a square co-planar geometry to four O²⁻ atoms. There are two shorter (1.84 Å) and two longer (1.95 Å) Cu-O bond lengths. In the second Cu³⁺ site, Cu³⁺ is bonded to six ... | AlCu4SbPb6S2(Cl2O13)2 | null |
mp-698491 | P1
11.32833500 11.32833500 6.61888900
90 90 90
Na 1 0.00000000 0.50000000 0.06741700
Na 1 0.50000000 0.00000000 0.93258300
Ca 1 0.75000000 0.25000000 0.00000000
Ca 1 0.25000000 0.25000000 0.00000000
Ca 1 0.75000000 0.75000000 0.00000000
Ca 1 0.25000000 0.75000000 0.00000000
Al 1 0.34507100 0.65492900 0.50000000
Al 1 0.... | 0 | -2.299679 | true | 5.1823 | false | 0.806835 | null | null | null | (NaCa₂Al₄H₈(CO₅)₄)₂Cl₂ crystallizes in the tetragonal P4/nmm space group. The structure consists of two Cl₂ clusters inside a NaCa₂Al₄H₈(CO₅)₄ framework. In each Cl₂ cluster, Cl¹⁻ is bonded in a 6-coordinate geometry to atoms. In the NaCa₂Al₄H₈(CO₅)₄ framework, Na¹⁺ is bonded in a distorted square co-planar geometry t... | NaCa2Al4H8C4ClO20 | null |
mp-1200316 | P1
15.50592108 15.50592108 15.50592108
92.1647 118.758 118.758
Sn 1 0.76836163 0.94737835 0.94737835
Sn 1 0.23163837 0.17901672 0.17901672
Sn 1 -0.00000000 0.05262165 0.82098328
Sn 1 -0.00000000 0.82098328 0.05262165
Hg 1 -0.00000000 -0.00000000 -0.00000000
B 1 0.66941487 0.94300953 0.02649393
B 1 0.33058513 0.35707905... | 0.171486 | -0.1715 | false | 2.3542 | false | -1.521995 | null | null | null | HgSn₄(BH)₂₀(BH)₂₄(C₃H₇NH₃)₈Cl₂ is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I̅42m space group. The structure is zero-dimensional and consists of forty-eight BH clusters, sixteen C₃H₇NH₃ clusters, four Cl₂ clusters, and two HgSn₄(BH)₂₀ clusters. In each BH cluster, B is bonded in a sing... | Sn4HgB44H124C24(N4Cl)2 | null |
mp-1196726 | P1
11.96989300 8.48834900 15.70897309
90 99.4337 90
Cu 1 0.62097200 0.61553400 0.20569100
Cu 1 0.37902800 0.61553400 0.29430900
Cu 1 0.37902800 0.38446600 0.79430900
Cu 1 0.62097200 0.38446600 0.70569100
H 1 0.81620900 0.56817800 0.32572300
H 1 0.18379100 0.56817800 0.17427700
H 1 0.18379100 0.43182200 0.67427700
H 1 0... | 0.033931 | -0.518234 | false | 2.7848 | false | 2.758074 | null | null | null | (CuC₃H₁₂(N₂S)₃)₂(H₂O)₂Cl₂ is Indium-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four Cl₂ clusters, two CuC₃H₁₂(N₂S)₃ clusters, and four H₂O clusters. In each Cl₂ cluster, Cl¹⁻ is bonded in a 1-coordinate geometry to atoms. In each CuC₃H₁₂(N₂... | CuH14C3S3N6ClO | null |
mp-1210325 | P1
7.19201700 5.66398000 18.73015790
77.2116 90 90
Na 1 0.65339600 0.00000000 0.75000000
Na 1 0.34660400 0.00000000 0.25000000
Na 1 0.88636600 0.70316500 0.92905700
Na 1 0.11363400 0.29683500 0.07094300
Na 1 0.88636600 0.29683500 0.57094300
Na 1 0.11363400 0.70316500 0.42905700
Na 1 0.88949700 0.50000000 0.75000000
Na ... | 0 | -3.186074 | true | 2.4338 | false | 4.72006 | null | null | null | Na₄Zr₂TiMnSi₄(O₈F)₂ is Esseneite-derived structured and crystallizes in the monoclinic P2/c space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded in a 6-coordinate geometry to four O²⁻ and two equivalent F¹⁻ atoms. There are two shorter (2.42 Å) and two longer (2.65 Å) Na-O bond l... | Na4Zr2TiMnSi4(O8F)2 | null |
mp-1210416 | P1
7.19700900 5.72326700 18.73731402
76.9763 90 90
Na 1 0.65405600 0.00000000 0.75000000
Na 1 0.34594400 0.00000000 0.25000000
Na 1 0.88745100 0.70404700 0.93048500
Na 1 0.11254900 0.29595300 0.06951500
Na 1 0.88745100 0.29595300 0.56951500
Na 1 0.11254900 0.70404700 0.43048500
Na 1 0.88882800 0.50000000 0.75000000
Na ... | 0 | -3.294319 | true | 3.3247 | false | 1.452903 | null | null | null | Na₄CaZr₂TiSi₄(O₈F)₂ is Esseneite-derived structured and crystallizes in the monoclinic P2/c space group. There are three inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded to four O²⁻ and two equivalent F¹⁻ atoms to form distorted NaO₄F₂ octahedra that share corners with two equivalent ZrO₆ octahedra, corn... | Na4CaZr2TiSi4(O8F)2 | null |
mp-1218870 | P1
5.39314700 5.46205321 31.57964053
90.1549 90 90
Sr 1 0.46326700 0.75545900 0.36061100
Sr 1 0.03803300 0.75322800 0.63819100
Sr 1 0.46326700 0.74454100 0.13938900
Sr 1 0.03803300 0.74677200 0.86180900
Sr 1 0.53673300 0.24454100 0.63938900
Sr 1 0.96196700 0.24677200 0.36180900
Sr 1 0.53673300 0.25545900 0.86061100
Sr ... | 0.017585 | -2.147951 | false | 0 | true | 3.516482 | null | null | null | Sr₄CaYCu₄Bi₂(PbO₈)₂ crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two Sr₄CaYCu₄Bi₂(PbO₈)₂ sheets oriented in the (0, 0, 1) direction. There are two inequivalent Sr²⁺ sites. In the first Sr²⁺ site, Sr²⁺ is bonded in a 9-coordinate geometry to nine O²⁻ atoms. There are ... | Sr4CaYCu4Bi2(PbO8)2 | null |
mp-1199124 | P1
11.40924209 14.19624310 14.19624310
80.7074 66.3067 66.3067
Na 1 0.12500000 0.75000000 0.25000000
Na 1 0.62500000 0.75000000 0.25000000
Na 1 0.37500000 0.25000000 0.75000000
Na 1 0.87500000 0.25000000 0.75000000
Al 1 0.42768180 0.25000000 0.14463640
Al 1 0.32231820 0.85536360 0.75000000
Al 1 0.17768180 0.75000000 0.... | 0 | -1.520687 | true | 5.0711 | false | 0.468651 | null | null | null | NaAl₂H₂S₄O₁₈Cl(NH₄)₄ crystallizes in the tetragonal I4₁/acd space group. The structure consists of thirty-two NH₄ clusters inside a NaAl₂H₂S₄O₁₈Cl framework. In each NH₄ cluster, N³⁻ is bonded in a tetrahedral geometry to four H¹⁺ atoms. There are two shorter (1.03 Å) and two longer (1.04 Å) N-H bond lengths. There are... | NaAl2H18S4N4ClO18 | null |
mp-1222063 | P1
8.90181171 8.90181171 10.82982700
90 90 120
Na 1 0.33333300 0.66666700 0.80088400
Na 1 0.33333300 0.66666700 0.20041800
Na 1 0.00000000 0.00000000 0.49978600
Na 1 0.90544300 0.55967900 0.73373100
Na 1 0.65423600 0.09455700 0.73373100
Na 1 0.44032100 0.34576400 0.73373100
Na 1 0.91221900 0.56310600 0.25836900
Na 1 0.... | 0.036978 | -2.236182 | false | 1.0961 | false | 1.878782 | null | null | null | Na₁₅Y₂C₉SO₃₀ClF crystallizes in the trigonal P3 space group. There are seven inequivalent Na¹⁺ sites. In the first Na¹⁺ site, Na¹⁺ is bonded to six O²⁻ atoms to form edge-sharing NaO₆ octahedra. There are three shorter (2.37 Å) and three longer (2.46 Å) Na-O bond lengths. In the second Na¹⁺ site, Na¹⁺ is bonded to six ... | Na15Y2C9SClO30F | null |
mp-1181934 | P1
6.87209368 16.03411665 16.26691233
90 98.0687 90
Mg 1 -0.00000000 0.00000000 0.00000000
Mg 1 0.50000000 0.50000000 0.50000000
H 1 0.67265948 0.05336707 0.77337266
H 1 0.78014116 0.23710191 0.34130939
H 1 0.14349370 0.17807199 0.61291239
H 1 0.17265948 0.44663293 0.27337266
H 1 0.64769118 0.60806395 0.63218702
H 1 0.... | 0.532774 | -1.170285 | false | 1.5647 | false | -1.994857 | null | null | null | MgN₂H₈S₂(O₅F)₂(CHF₃)₂(HS₁)₂(CF₂)₂(H₂O)₂(O₂)₂ is Indium-derived structured and crystallizes in the monoclinic P2₁/c space group. The structure is zero-dimensional and consists of four CF₂ clusters, four CHF₃ clusters, four H₂O clusters, four HS₁ clusters, two MgN₂H₈S₂(O₅F)₂ clusters, and four O₂ clusters. In each CF₂ cl... | MgH16C4S4N2(O4F3)4 | null |
mp-1182733 | P1
7.11100075 14.30692766 17.25468998
90 96.2667 90
Mg 1 0.00000000 0.00000000 0.00000000
Mg 1 0.50000000 0.50000000 0.50000000
H 1 0.64451424 0.03689896 0.75332869
H 1 0.91288376 0.21552640 0.32900252
H 1 0.05837692 0.18942058 0.63085899
H 1 0.14451424 0.46310104 0.25332869
H 1 0.65254516 0.62976643 0.70845240
H 1 0.9... | 0.688611 | -1.014449 | false | 0 | true | -1.729274 | null | null | null | MgH₄S₂(NO₃)₂(CF₂)₂(CH₄O₃F₄)₂(H₂O)₂(SO)₂ is Indium-derived structured and crystallizes in the monoclinic P2₁/c space group. The structure is zero-dimensional and consists of four CF₂ clusters, four CH₄O₃F₄ clusters, four H₂O clusters, two MgH₄S₂(NO₃)₂ clusters, and four SO clusters. In each CF₂ cluster, C⁴⁺ is bonded in... | MgH16C4S4N2(O4F3)4 | null |
mp-1195164 | P1
12.85783000 15.70873800 12.58887926
90 99.4602 90
Cu 1 0.21515200 0.11829500 0.48102200
Cu 1 0.78484800 0.61829500 0.01897800
Cu 1 0.78484800 0.88170500 0.51897800
Cu 1 0.21515200 0.38170500 0.98102200
B 1 0.28225900 0.87221500 0.02240900
B 1 0.71774100 0.37221500 0.47759100
B 1 0.71774100 0.12778500 0.97759100
B 1 ... | 0 | -0.610717 | true | 3.1191 | false | 3.201063 | null | null | null | CuP₄H₂₄(C₂S)₄BF₄ is Indium-derived structured and crystallizes in the monoclinic P2₁/c space group. The structure is zero-dimensional and consists of four BF₄ clusters and four CuP₄H₂₄(C₂S)₄ clusters. In each BF₄ cluster, B³⁺ is bonded in a tetrahedral geometry to four F¹⁻ atoms. All B-F bond lengths are 1.42 Å. There ... | CuBP4H24C8(SF)4 | null |
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