The material structure described by Sr2TaInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent In(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent In(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ta(1), and one In(1) atom. is represented by the CIF file [CIF]
data_Sr2TaInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   5.842
_cell_length_c   5.842
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   140.949
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Sr  Sr1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.741  0.259  0.259  1.0
  O  O5  1  0.741  0.259  0.741  1.0
  O  O6  1  0.741  0.741  0.259  1.0
  O  O7  1  0.259  0.741  0.741  1.0
  O  O8  1  0.259  0.741  0.259  1.0
  O  O9  1  0.259  0.259  0.741  1.0
[/CIF]
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The material structure described by Sr2TaInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent In(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent In(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ta(1), and one In(1) atom. is represented by the CIF file [CIF]
data_Sr2TaInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   5.842
_cell_length_c   5.842
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   140.949
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Sr  Sr1  1  0.750  0.750  0.750  1.0
  Ta  Ta2  1  0.500  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.741  0.259  0.259  1.0
  O  O5  1  0.741  0.259  0.741  1.0
  O  O6  1  0.741  0.741  0.259  1.0
  O  O7  1  0.259  0.741  0.741  1.0
  O  O8  1  0.259  0.741  0.259  1.0
  O  O9  1  0.259  0.259  0.741  1.0
[/CIF]
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