The structure described by K2Ba(BiO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. K(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form KO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent K(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Bi(1)O6 octahedra, and faces with five equivalent Bi(2)O6 octahedra. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Bi(1)O6 octahedra, and faces with six equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with five equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), one Ba(1), one Bi(1), and one Bi(2) atom to form distorted OK3BaBi2 octahedra that share corners with eight equivalent O(2)K2Ba2Bi2 octahedra, corners with fourteen equivalent O(1)K3BaBi2 octahedra, edges with two equivalent O(2)K2Ba2Bi2 octahedra, edges with two equivalent O(1)K3BaBi2 octahedra, faces with two equivalent O(2)K2Ba2Bi2 octahedra, and faces with six equivalent O(1)K3BaBi2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Ba(1), and two equivalent Bi(2) atoms to form distorted OK2Ba2Bi2 octahedra that share corners with six equivalent O(2)K2Ba2Bi2 octahedra, corners with sixteen equivalent O(1)K3BaBi2 octahedra, edges with four equivalent O(1)K3BaBi2 octahedra, faces with four equivalent O(2)K2Ba2Bi2 octahedra, and faces with four equivalent O(1)K3BaBi2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Ba(BiO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   7.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   241.428
_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  0.667  0.333  0.335  1.0
  K  K1  1  0.333  0.667  0.665  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.667  0.333  0.830  1.0
  Bi  Bi5  1  0.333  0.667  0.170  1.0
  O  O6  1  0.678  0.839  0.323  1.0
  O  O7  1  0.322  0.161  0.677  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.839  0.678  0.677  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.161  0.322  0.323  1.0
  O  O12  1  0.839  0.161  0.677  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.161  0.839  0.323  1.0
[/CIF]
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The structure described by K2Ba(BiO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. K(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form KO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with nine equivalent K(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Bi(1)O6 octahedra, and faces with five equivalent Bi(2)O6 octahedra. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent K(1)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Bi(1)O6 octahedra, and faces with six equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with five equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), one Ba(1), one Bi(1), and one Bi(2) atom to form distorted OK3BaBi2 octahedra that share corners with eight equivalent O(2)K2Ba2Bi2 octahedra, corners with fourteen equivalent O(1)K3BaBi2 octahedra, edges with two equivalent O(2)K2Ba2Bi2 octahedra, edges with two equivalent O(1)K3BaBi2 octahedra, faces with two equivalent O(2)K2Ba2Bi2 octahedra, and faces with six equivalent O(1)K3BaBi2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Ba(1), and two equivalent Bi(2) atoms to form distorted OK2Ba2Bi2 octahedra that share corners with six equivalent O(2)K2Ba2Bi2 octahedra, corners with sixteen equivalent O(1)K3BaBi2 octahedra, edges with four equivalent O(1)K3BaBi2 octahedra, faces with four equivalent O(2)K2Ba2Bi2 octahedra, and faces with four equivalent O(1)K3BaBi2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Ba(BiO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   7.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   241.428
_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  0.667  0.333  0.335  1.0
  K  K1  1  0.333  0.667  0.665  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.667  0.333  0.830  1.0
  Bi  Bi5  1  0.333  0.667  0.170  1.0
  O  O6  1  0.678  0.839  0.323  1.0
  O  O7  1  0.322  0.161  0.677  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.839  0.678  0.677  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.161  0.322  0.323  1.0
  O  O12  1  0.839  0.161  0.677  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.161  0.839  0.323  1.0
[/CIF]
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