The material structure described by KCaSnBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Bi(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 K(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, faces with four equivalent K(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 K(1), two equivalent Ca(1), one Sn(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OK2Ca2SnBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KCaSnBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.889
_cell_length_c   5.889
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   144.441
_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
  K  K0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.747  0.253  0.253  1.0
  O  O5  1  0.253  0.747  0.747  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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The material structure described by KCaSnBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Bi(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 K(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, faces with four equivalent K(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 K(1), two equivalent Ca(1), one Sn(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OK2Ca2SnBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KCaSnBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.889
_cell_length_c   5.889
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   144.441
_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
  K  K0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.250  0.250  0.250  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.747  0.253  0.253  1.0
  O  O5  1  0.253  0.747  0.747  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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