| |
| data_MgOF |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 3.25362270 |
| _cell_length_b 6.01179906 |
| _cell_length_c 6.70512190 |
| _cell_angle_alpha 90.67192817 |
| _cell_angle_beta 89.54912090 |
| _cell_angle_gamma 91.09173665 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural MgOF |
| _chemical_formula_sum 'Mg4 O4 F4' |
| _cell_volume 131.11636876 |
| _cell_formula_units_Z 4 |
| 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 |
| Mg Mg0 1 0.27325431 0.82920867 0.69676912 1 |
| Mg Mg1 1 0.28633910 0.39818931 0.20631425 1 |
| Mg Mg2 1 0.78644800 0.91560441 0.32610396 1 |
| Mg Mg3 1 0.76173186 0.21019493 0.83248532 1 |
| O O4 1 0.24183945 0.09153604 0.36781290 1 |
| O O5 1 0.22502060 0.65669894 0.36503536 1 |
| O O6 1 0.23351753 0.53399551 0.89642739 1 |
| O O7 1 0.22767715 0.04620612 0.86602962 1 |
| F F8 1 0.74549758 0.78458202 0.09263287 1 |
| F F9 1 0.72793239 0.27329537 0.11691741 1 |
| F F10 1 0.74455893 0.88788331 0.63078374 1 |
| F F11 1 0.74618304 0.37260547 0.60268807 1 |
|
|
