| |
| data_Ca2TiCoO6 |
| _symmetry_space_group_name_H-M 'P 1' |
| _cell_length_a 5.10103307 |
| _cell_length_b 5.17518774 |
| _cell_length_c 5.38002001 |
| _cell_angle_alpha 61.03621540 |
| _cell_angle_beta 61.74283435 |
| _cell_angle_gamma 60.35365987 |
| _symmetry_Int_Tables_number 1 |
| _chemical_formula_structural Ca2TiCoO6 |
| _chemical_formula_sum 'Ca2 Ti1 Co1 O6' |
| _cell_volume 102.75979678 |
| _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 |
| Ca Ca0 1 0.84329331 0.12060204 0.50460589 1 |
| Ca Ca1 1 0.37996829 0.59541279 0.03291209 1 |
| Ti Ti2 1 0.13207774 0.41006523 0.71792400 1 |
| Co Co3 1 0.58329463 0.90399975 0.19581454 1 |
| O O4 1 0.28912461 0.04150568 0.32949883 1 |
| O O5 1 0.03643414 0.64107716 0.86443323 1 |
| O O6 1 0.38079965 0.03332442 0.80385005 1 |
| O O7 1 0.97335958 0.65831184 0.36923277 1 |
| O O8 1 0.66580230 0.27476731 0.32266867 1 |
| O O9 1 0.71584582 0.32093382 0.85905993 1 |
|
|
