The structure described by BaCaInSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent In(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Ba(1), two equivalent Ca(1), one In(1), and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_BaCaInSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   5.853
_cell_length_c   5.853
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   141.799
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.741  0.259  0.259  1.0
  O  O5  1  0.259  0.741  0.741  1.0
  O  O6  1  0.741  0.259  0.741  1.0
  O  O7  1  0.259  0.741  0.259  1.0
  O  O8  1  0.741  0.741  0.259  1.0
  O  O9  1  0.259  0.259  0.741  1.0
[/CIF]
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The structure described by BaCaInSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent In(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent In(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Ba(1), two equivalent Ca(1), one In(1), and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_BaCaInSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   5.853
_cell_length_c   5.853
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   141.799
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.741  0.259  0.259  1.0
  O  O5  1  0.259  0.741  0.741  1.0
  O  O6  1  0.741  0.259  0.741  1.0
  O  O7  1  0.259  0.741  0.259  1.0
  O  O8  1  0.741  0.741  0.259  1.0
  O  O9  1  0.259  0.259  0.741  1.0
[/CIF]
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