Datasets:
| # generated using pymatgen | |
| data_SnO2 | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 4.76481805 | |
| _cell_length_b 4.76481805 | |
| _cell_length_c 3.20749977 | |
| _cell_angle_alpha 90.00000000 | |
| _cell_angle_beta 90.00000000 | |
| _cell_angle_gamma 90.00000000 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural SnO2 | |
| _chemical_formula_sum 'Sn2 O4' | |
| _cell_volume 72.82144217 | |
| _cell_formula_units_Z 2 | |
| loop_ | |
| _symmetry_equiv_pos_site_id | |
| _symmetry_equiv_pos_as_xyz | |
| 1 'x, y, z' | |
| loop_ | |
| _atom_type_symbol | |
| _atom_type_oxidation_number | |
| Sn4+ 4.0 | |
| O2- -2.0 | |
| 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 | |
| Sn4+ Sn0 1 0.50000000 0.50000000 0.50000000 1 | |
| Sn4+ Sn1 1 0.00000000 0.00000000 0.00000000 1 | |
| O2- O2 1 0.80597230 0.19402771 0.50000000 1 | |
| O2- O3 1 0.19402771 0.80597230 0.50000000 1 | |
| O2- O4 1 0.30597230 0.30597230 0.00000000 1 | |
| O2- O5 1 0.69402770 0.69402770 0.00000000 1 | |