The material described by CuBi2O4 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Cu(1) and four equivalent Bi(1) atoms. In the second O site, O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_Cu(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.866
_cell_length_b   6.866
_cell_length_c   6.866
_cell_angle_alpha   146.374
_cell_angle_beta   146.374
_cell_angle_gamma   48.291
_symmetry_Int_Tables_number   1
_cell_volume   98.854
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.648  0.648  0.000  1.0
  Bi  Bi2  1  0.352  0.352  0.000  1.0
  O  O3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
[/CIF]
.
The material described by CuBi2O4 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Cu(1) and four equivalent Bi(1) atoms. In the second O site, O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_Cu(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.866
_cell_length_b   6.866
_cell_length_c   6.866
_cell_angle_alpha   146.374
_cell_angle_beta   146.374
_cell_angle_gamma   48.291
_symmetry_Int_Tables_number   1
_cell_volume   98.854
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.648  0.648  0.000  1.0
  Bi  Bi2  1  0.352  0.352  0.000  1.0
  O  O3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
[/CIF]
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