| |
| data_Pu2Si3 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 4.26022438 |
| _cell_length_b 7.16692875 |
| _cell_length_c 7.16692875 |
| _cell_angle_alpha 90.00000000 |
| _cell_angle_beta 90.00000000 |
| _cell_angle_gamma 90.00000000 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural Pu2Si3 |
| _chemical_formula_sum 'Pu4 Si6' |
| _cell_volume 218.82586168 |
| _cell_formula_units_Z 2 |
| loop_ |
| _symmetry_equiv_pos_site_id |
| _symmetry_equiv_pos_as_xyz |
| 1 'x, y, z' |
| loop_ |
| _atom_site_type_symbol |
| _atom_site_label |
| _atom_site_symmetry_multiplicity |
| _atom_site_fract_x |
| _atom_site_fract_y |
| _atom_site_fract_z |
| _atom_site_occupancy |
| Pu Pu0 1 0.50000000 0.67597000 0.82403000 1.0 |
| Pu Pu1 1 0.50000000 0.32403000 0.17597000 1.0 |
| Pu Pu2 1 0.50000000 0.17597000 0.67597000 1.0 |
| Pu Pu3 1 0.50000000 0.82403000 0.32403000 1.0 |
| Si Si4 1 0.00000000 0.88257100 0.61742900 1.0 |
| Si Si5 1 0.00000000 0.11742900 0.38257100 1.0 |
| Si Si6 1 0.00000000 0.38257100 0.88257100 1.0 |
| Si Si7 1 0.00000000 0.61742900 0.11742900 1.0 |
| Si Si8 1 0.00000000 0.00000000 0.00000000 1.0 |
| Si Si9 1 0.00000000 0.50000000 0.50000000 1.0 |
|
|
