| |
| data_LaCe4(ErS6)2 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 3.83328973 |
| _cell_length_b 7.07998373 |
| _cell_length_c 14.50771011 |
| _cell_angle_alpha 103.87107770 |
| _cell_angle_beta 89.66812249 |
| _cell_angle_gamma 107.43423054 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural LaCe4(ErS6)2 |
| _chemical_formula_sum 'La1 Ce4 Er2 S12' |
| _cell_volume 363.76355683 |
| _cell_formula_units_Z 1 |
| 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 |
| La La0 1 0.29877159 0.22582479 0.93017459 1 |
| Ce Ce1 1 0.84685075 0.32799903 0.52153265 1 |
| Ce Ce2 1 0.17889328 0.94574022 0.36577353 1 |
| Ce Ce3 1 0.51144230 0.73977453 0.78302228 1 |
| Ce Ce4 1 0.89968634 0.44206375 0.22035919 1 |
| Er Er5 1 0.63393462 0.92969406 0.12949117 1 |
| Er Er6 1 0.17316589 0.02973910 0.62531567 1 |
| S S7 1 0.28745401 0.23659807 0.11879680 1 |
| S S8 1 0.36492988 0.38094497 0.73055196 1 |
| S S9 1 0.91473150 0.64182466 0.43881330 1 |
| S S10 1 0.31837597 0.28218535 0.45815796 1 |
| S S11 1 0.63409615 0.94992375 0.67987615 1 |
| S S12 1 0.07449748 0.81170666 0.82344538 1 |
| S S13 1 0.79259402 0.29361087 0.90681881 1 |
| S S14 1 0.53798789 0.77809185 0.96746540 1 |
| S S15 1 0.98740029 0.68591106 0.11935717 1 |
| S S16 1 0.73087406 0.07979614 0.29373959 1 |
| S S17 1 0.42110309 0.62010705 0.32826829 1 |
| S S18 1 0.39321080 0.59846419 0.55904025 1 |
|
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