| |
| data_CaMgSi4 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 3.98179818 |
| _cell_length_b 4.05229727 |
| _cell_length_c 11.94797950 |
| _cell_angle_alpha 99.82968569 |
| _cell_angle_beta 99.65197011 |
| _cell_angle_gamma 90.22848362 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural CaMgSi4 |
| _chemical_formula_sum 'Ca2 Mg2 Si8' |
| _cell_volume 187.16110248 |
| _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 |
| Ca Ca0 1 0.99226654 0.69746649 0.14315996 1 |
| Ca Ca1 1 0.16966674 0.76947230 0.47549742 1 |
| Mg Mg2 1 0.70649093 0.37405795 0.55845815 1 |
| Mg Mg3 1 0.40769368 0.56146455 0.86396480 1 |
| Si Si4 1 0.81084383 0.82488573 0.75537109 1 |
| Si Si5 1 0.11618280 0.18331914 0.31129542 1 |
| Si Si6 1 0.55654001 0.17360567 0.22020677 1 |
| Si Si7 1 0.29375067 0.05755127 0.69065297 1 |
| Si Si8 1 0.46807584 0.23688401 0.95590353 1 |
| Si Si9 1 0.90726757 0.37110114 0.79496837 1 |
| Si Si10 1 0.95886010 0.04067748 0.94597650 1 |
| Si Si11 1 0.61236131 0.70951426 0.28454489 1 |
|
|
