The compound described by KSr(BiO3)2 crystallizes in the tetragonal I-42m space group. K(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted KO8 cuboctahedra that share corners with four equivalent K(1)O8 cuboctahedra and edges with eight equivalent Bi(1)O6 octahedra. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and edges with four equivalent K(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Sr(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KSr(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.079
_cell_length_c   6.079
_cell_angle_alpha   120.948
_cell_angle_beta   120.948
_cell_angle_gamma   88.366
_symmetry_Int_Tables_number   1
_cell_volume   156.488
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.750  0.250  0.500  1.0
  Bi  Bi3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.458  0.077  0.000  1.0
  O  O5  1  0.077  0.458  0.000  1.0
  O  O6  1  0.542  0.542  0.619  1.0
  O  O7  1  0.923  0.923  0.381  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by KSr(BiO3)2 crystallizes in the tetragonal I-42m space group. K(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted KO8 cuboctahedra that share corners with four equivalent K(1)O8 cuboctahedra and edges with eight equivalent Bi(1)O6 octahedra. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and edges with four equivalent K(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Sr(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KSr(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.079
_cell_length_c   6.079
_cell_angle_alpha   120.948
_cell_angle_beta   120.948
_cell_angle_gamma   88.366
_symmetry_Int_Tables_number   1
_cell_volume   156.488
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.750  0.250  0.500  1.0
  Bi  Bi3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.458  0.077  0.000  1.0
  O  O5  1  0.077  0.458  0.000  1.0
  O  O6  1  0.542  0.542  0.619  1.0
  O  O7  1  0.923  0.923  0.381  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.500  0.500  1.0
[/CIF]
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