| |
| data_Sc9As11 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 7.28060903 |
| _cell_length_b 7.39270012 |
| _cell_length_c 7.42483173 |
| _cell_angle_alpha 107.20979922 |
| _cell_angle_beta 109.74123032 |
| _cell_angle_gamma 111.26068896 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural Sc9As11 |
| _chemical_formula_sum 'Sc9 As11' |
| _cell_volume 308.10504110 |
| _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 |
| Sc Sc0 1 0.57239038 0.89917493 0.08410845 1 |
| Sc Sc1 1 0.04261838 0.47134182 0.49654663 1 |
| Sc Sc2 1 0.55113232 0.30736294 0.91778690 1 |
| Sc Sc3 1 0.05865402 0.05600429 0.29400781 1 |
| Sc Sc4 1 0.14698301 0.91532850 0.67452943 1 |
| Sc Sc5 1 0.04397906 0.34045804 0.92485601 1 |
| Sc Sc6 1 0.61386198 0.97507834 0.53472209 1 |
| Sc Sc7 1 0.95646244 0.66240072 0.88652170 1 |
| As As8 1 0.81591213 0.91538769 0.84774572 1 |
| Sc Sc9 1 0.43332589 0.59994876 0.39031130 1 |
| As As10 1 0.25338861 0.60851336 0.14435406 1 |
| As As11 1 0.76709110 0.67906249 0.10823748 1 |
| As As12 1 0.28073800 0.28846419 0.66758621 1 |
| As As13 1 0.82678676 0.06398973 0.49417132 1 |
| As As14 1 0.42781922 0.04421609 0.37596089 1 |
| As As15 1 0.98603821 0.71465003 0.40977022 1 |
| As As16 1 0.85141778 0.28215271 0.15395658 1 |
| As As17 1 0.30271268 0.64279151 0.83273625 1 |
| As As18 1 0.28660434 0.11044369 0.06613072 1 |
| As As19 1 0.78208375 0.42323014 0.69596028 1 |
|
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