The crystal structure described by CaBi2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Bi(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BiO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O4 tetrahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Bi(1), and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   6.998
_cell_length_c   6.998
_cell_angle_alpha   120.452
_cell_angle_beta   118.331
_cell_angle_gamma   91.067
_symmetry_Int_Tables_number   1
_cell_volume   244.384
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.123  0.873  0.250  1.0
  Bi  Bi3  1  0.877  0.127  0.750  1.0
  Bi  Bi4  1  0.500  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.744  0.260  0.015  1.0
  O  O7  1  0.738  0.257  0.481  1.0
  O  O8  1  0.744  0.729  0.485  1.0
  O  O9  1  0.276  0.257  0.019  1.0
  O  O10  1  0.724  0.743  0.981  1.0
  O  O11  1  0.262  0.743  0.519  1.0
  O  O12  1  0.256  0.271  0.515  1.0
  O  O13  1  0.256  0.740  0.985  1.0
[/CIF]
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The crystal structure described by CaBi2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Bi(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BiO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O4 tetrahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Bi(1), and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   6.998
_cell_length_c   6.998
_cell_angle_alpha   120.452
_cell_angle_beta   118.331
_cell_angle_gamma   91.067
_symmetry_Int_Tables_number   1
_cell_volume   244.384
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.123  0.873  0.250  1.0
  Bi  Bi3  1  0.877  0.127  0.750  1.0
  Bi  Bi4  1  0.500  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.744  0.260  0.015  1.0
  O  O7  1  0.738  0.257  0.481  1.0
  O  O8  1  0.744  0.729  0.485  1.0
  O  O9  1  0.276  0.257  0.019  1.0
  O  O10  1  0.724  0.743  0.981  1.0
  O  O11  1  0.262  0.743  0.519  1.0
  O  O12  1  0.256  0.271  0.515  1.0
  O  O13  1  0.256  0.740  0.985  1.0
[/CIF]
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