The material described by CuBi2O4 crystallizes in the tetragonal I4cm space group. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Cu(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   6.887
_cell_length_c   6.887
_cell_angle_alpha   80.391
_cell_angle_beta   65.885
_cell_angle_gamma   65.885
_symmetry_Int_Tables_number   1
_cell_volume   222.331
_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
  Cu  Cu0  1  0.680  0.000  0.000  1.0
  Cu  Cu1  1  0.180  0.000  0.000  1.0
  Bi  Bi2  1  0.655  0.500  0.159  1.0
  Bi  Bi3  1  0.814  0.841  0.500  1.0
  Bi  Bi4  1  0.155  0.159  0.500  1.0
  Bi  Bi5  1  0.314  0.500  0.841  1.0
  O  O6  1  0.768  0.089  0.704  1.0
  O  O7  1  0.356  0.912  0.703  1.0
  O  O8  1  0.560  0.911  0.296  1.0
  O  O9  1  0.471  0.296  0.089  1.0
  O  O10  1  0.059  0.297  0.912  1.0
  O  O11  1  0.971  0.088  0.297  1.0
  O  O12  1  0.856  0.704  0.911  1.0
  O  O13  1  0.268  0.703  0.088  1.0
[/CIF]
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The material described by CuBi2O4 crystallizes in the tetragonal I4cm space group. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Cu(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   6.887
_cell_length_c   6.887
_cell_angle_alpha   80.391
_cell_angle_beta   65.885
_cell_angle_gamma   65.885
_symmetry_Int_Tables_number   1
_cell_volume   222.331
_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
  Cu  Cu0  1  0.680  0.000  0.000  1.0
  Cu  Cu1  1  0.180  0.000  0.000  1.0
  Bi  Bi2  1  0.655  0.500  0.159  1.0
  Bi  Bi3  1  0.814  0.841  0.500  1.0
  Bi  Bi4  1  0.155  0.159  0.500  1.0
  Bi  Bi5  1  0.314  0.500  0.841  1.0
  O  O6  1  0.768  0.089  0.704  1.0
  O  O7  1  0.356  0.912  0.703  1.0
  O  O8  1  0.560  0.911  0.296  1.0
  O  O9  1  0.471  0.296  0.089  1.0
  O  O10  1  0.059  0.297  0.912  1.0
  O  O11  1  0.971  0.088  0.297  1.0
  O  O12  1  0.856  0.704  0.911  1.0
  O  O13  1  0.268  0.703  0.088  1.0
[/CIF]
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