| |
| data_Li52.00032La24Y6Nb10O96 |
| _symmetry_space_group_name_H-M Ia-3d |
| _cell_length_a 12.94880000 |
| _cell_length_b 12.94880000 |
| _cell_length_c 12.94880000 |
| _cell_angle_alpha 90.00000000 |
| _cell_angle_beta 90.00000000 |
| _cell_angle_gamma 90.00000000 |
| _symmetry_Int_Tables_number 230 |
| _chemical_formula_structural Li52.00032La24Y6Nb10O96 |
| _chemical_formula_sum 'Li52.00032 La24 Y6 Nb10 O96' |
| _cell_volume 2171.14370194 |
| _cell_formula_units_Z 1 |
| loop_ |
| _symmetry_equiv_pos_site_id |
| _symmetry_equiv_pos_as_xyz |
| 1 'x, y, z' |
| 2 '-x, -y, -z' |
| 3 '-y+1/4, x+3/4, z+1/4' |
| 4 'y+1/4, -x+3/4, -z+1/4' |
| 5 '-x+1/2, -y, z+1/2' |
| 6 'x+1/2, y, -z+1/2' |
| 7 'y+1/4, -x+1/4, z+3/4' |
| 8 '-y+1/4, x+1/4, -z+3/4' |
| 9 'x, -y, -z+1/2' |
| 10 '-x, y, z+1/2' |
| 11 '-y+1/4, -x+1/4, -z+1/4' |
| 12 'y+1/4, x+1/4, z+1/4' |
| 13 '-x+1/2, y, -z' |
| 14 'x+1/2, -y, z' |
| 15 'y+1/4, x+3/4, -z+3/4' |
| 16 '-y+1/4, -x+3/4, z+3/4' |
| 17 'z, x, y' |
| 18 '-z, -x, -y' |
| 19 'z+1/4, -y+1/4, x+3/4' |
| 20 '-z+1/4, y+1/4, -x+3/4' |
| 21 'z+1/2, -x+1/2, -y' |
| 22 '-z+1/2, x+1/2, y' |
| 23 'z+3/4, y+1/4, -x+1/4' |
| 24 '-z+3/4, -y+1/4, x+1/4' |
| 25 '-z+1/2, x, -y' |
| 26 'z+1/2, -x, y' |
| 27 '-z+1/4, -y+1/4, -x+1/4' |
| 28 'z+1/4, y+1/4, x+1/4' |
| 29 '-z, -x+1/2, y' |
| 30 'z, x+1/2, -y' |
| 31 '-z+3/4, y+1/4, x+3/4' |
| 32 'z+3/4, -y+1/4, -x+3/4' |
| 33 'y, z, x' |
| 34 '-y, -z, -x' |
| 35 'x+3/4, z+1/4, -y+1/4' |
| 36 '-x+3/4, -z+1/4, y+1/4' |
| 37 '-y, z+1/2, -x+1/2' |
| 38 'y, -z+1/2, x+1/2' |
| 39 '-x+1/4, z+3/4, y+1/4' |
| 40 'x+1/4, -z+3/4, -y+1/4' |
| 41 '-y, -z+1/2, x' |
| 42 'y, z+1/2, -x' |
| 43 '-x+1/4, -z+1/4, -y+1/4' |
| 44 'x+1/4, z+1/4, y+1/4' |
| 45 'y, -z, -x+1/2' |
| 46 '-y, z, x+1/2' |
| 47 'x+3/4, -z+3/4, y+1/4' |
| 48 '-x+3/4, z+3/4, -y+1/4' |
| 49 'x+1/2, y+1/2, z+1/2' |
| 50 '-x+1/2, -y+1/2, -z+1/2' |
| 51 '-y+3/4, x+1/4, z+3/4' |
| 52 'y+3/4, -x+1/4, -z+3/4' |
| 53 '-x, -y+1/2, z' |
| 54 'x, y+1/2, -z' |
| 55 'y+3/4, -x+3/4, z+1/4' |
| 56 '-y+3/4, x+3/4, -z+1/4' |
| 57 'x+1/2, -y+1/2, -z' |
| 58 '-x+1/2, y+1/2, z' |
| 59 '-y+3/4, -x+3/4, -z+3/4' |
| 60 'y+3/4, x+3/4, z+3/4' |
| 61 '-x, y+1/2, -z+1/2' |
| 62 'x, -y+1/2, z+1/2' |
| 63 'y+3/4, x+1/4, -z+1/4' |
| 64 '-y+3/4, -x+1/4, z+1/4' |
| 65 'z+1/2, x+1/2, y+1/2' |
| 66 '-z+1/2, -x+1/2, -y+1/2' |
| 67 'z+3/4, -y+3/4, x+1/4' |
| 68 '-z+3/4, y+3/4, -x+1/4' |
| 69 'z, -x, -y+1/2' |
| 70 '-z, x, y+1/2' |
| 71 'z+1/4, y+3/4, -x+3/4' |
| 72 '-z+1/4, -y+3/4, x+3/4' |
| 73 '-z, x+1/2, -y+1/2' |
| 74 'z, -x+1/2, y+1/2' |
| 75 '-z+3/4, -y+3/4, -x+3/4' |
| 76 'z+3/4, y+3/4, x+3/4' |
| 77 '-z+1/2, -x, y+1/2' |
| 78 'z+1/2, x, -y+1/2' |
| 79 '-z+1/4, y+3/4, x+1/4' |
| 80 'z+1/4, -y+3/4, -x+1/4' |
| 81 'y+1/2, z+1/2, x+1/2' |
| 82 '-y+1/2, -z+1/2, -x+1/2' |
| 83 'x+1/4, z+3/4, -y+3/4' |
| 84 '-x+1/4, -z+3/4, y+3/4' |
| 85 '-y+1/2, z, -x' |
| 86 'y+1/2, -z, x' |
| 87 '-x+3/4, z+1/4, y+3/4' |
| 88 'x+3/4, -z+1/4, -y+3/4' |
| 89 '-y+1/2, -z, x+1/2' |
| 90 'y+1/2, z, -x+1/2' |
| 91 '-x+3/4, -z+3/4, -y+3/4' |
| 92 'x+3/4, z+3/4, y+3/4' |
| 93 'y+1/2, -z+1/2, -x' |
| 94 '-y+1/2, z+1/2, x' |
| 95 'x+1/4, -z+1/4, y+3/4' |
| 96 '-x+1/4, z+1/4, -y+3/4' |
| 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 |
| Li Li0 96 0.06637250 0.07617016 0.81775405 0.27417 |
| Li Li1 48 0.07566184 0.12500000 0.82566184 0.2625 |
| Li Li2 24 0.00000000 0.25000000 0.37500000 0.545 |
| La La3 24 0.00000000 0.25000000 0.12500000 1.0 |
| Nb Nb4 16 0.00000000 0.00000000 0.00000000 0.625 |
| Y Y5 16 0.00000000 0.00000000 0.00000000 0.375 |
| O O6 96 0.05206496 0.06056376 0.62911548 1.0 |
|
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