| |
| data_K2TiBiO5 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 3.84057590 |
| _cell_length_b 3.76667726 |
| _cell_length_c 8.92605331 |
| _cell_angle_alpha 90.31477182 |
| _cell_angle_beta 90.19540259 |
| _cell_angle_gamma 90.16962100 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural K2TiBiO5 |
| _chemical_formula_sum 'K2 Ti1 Bi1 O5' |
| _cell_volume 129.12288826 |
| _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 |
| K K0 1 0.76859999 0.76639366 0.55938554 1 |
| K K1 1 0.28228778 0.29405093 0.09980551 1 |
| Ti Ti2 1 0.78561062 0.79038602 0.30435091 1 |
| Bi Bi3 1 0.28297734 0.26850197 0.68227565 1 |
| O O4 1 0.76411700 0.26374030 0.79830760 1 |
| O O5 1 0.27730769 0.75314420 0.81386948 1 |
| O O6 1 0.77614760 0.28310978 0.32355046 1 |
| O O7 1 0.78491431 0.78725457 0.08949469 1 |
| O O8 1 0.27803761 0.79341853 0.32896021 1 |
|
|
