The compound described by CuBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one O(8), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form distorted edge-sharing BiO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one Bi(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(1) and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(2) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.635
_cell_length_b   6.435
_cell_length_c   10.844
_cell_angle_alpha   86.797
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   671.313
_cell_formula_units_Z   8
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  0.101  0.809  0.880  1.0
  Cu  Cu1  1  0.015  0.369  0.623  1.0
  Cu  Cu2  1  0.985  0.631  0.377  1.0
  Cu  Cu3  1  0.899  0.191  0.120  1.0
  Cu  Cu4  1  0.399  0.809  0.380  1.0
  Cu  Cu5  1  0.485  0.369  0.123  1.0
  Cu  Cu6  1  0.601  0.191  0.620  1.0
  Cu  Cu7  1  0.515  0.631  0.877  1.0
  Bi  Bi8  1  0.370  0.141  0.891  1.0
  Bi  Bi9  1  0.130  0.141  0.391  1.0
  Bi  Bi10  1  0.139  0.519  0.111  1.0
  Bi  Bi11  1  0.870  0.859  0.609  1.0
  Bi  Bi12  1  0.861  0.481  0.889  1.0
  Bi  Bi13  1  0.639  0.481  0.389  1.0
  Bi  Bi14  1  0.361  0.519  0.611  1.0
  Bi  Bi15  1  0.630  0.859  0.109  1.0
  O  O16  1  0.335  0.069  0.331  1.0
  O  O17  1  0.041  0.645  0.600  1.0
  O  O18  1  0.691  0.181  0.474  1.0
  O  O19  1  0.191  0.819  0.026  1.0
  O  O20  1  0.165  0.069  0.831  1.0
  O  O21  1  0.665  0.931  0.669  1.0
  O  O22  1  0.024  0.090  0.604  1.0
  O  O23  1  0.915  0.477  0.097  1.0
  O  O24  1  0.585  0.477  0.597  1.0
  O  O25  1  0.850  0.375  0.709  1.0
  O  O26  1  0.350  0.625  0.791  1.0
  O  O27  1  0.085  0.523  0.903  1.0
  O  O28  1  0.976  0.910  0.396  1.0
  O  O29  1  0.581  0.803  0.310  1.0
  O  O30  1  0.191  0.343  0.549  1.0
  O  O31  1  0.309  0.343  0.049  1.0
  O  O32  1  0.081  0.197  0.190  1.0
  O  O33  1  0.415  0.523  0.403  1.0
  O  O34  1  0.419  0.197  0.690  1.0
  O  O35  1  0.309  0.819  0.526  1.0
  O  O36  1  0.459  0.645  0.100  1.0
  O  O37  1  0.150  0.625  0.291  1.0
  O  O38  1  0.835  0.931  0.169  1.0
  O  O39  1  0.476  0.090  0.104  1.0
  O  O40  1  0.809  0.181  0.974  1.0
  O  O41  1  0.691  0.657  0.951  1.0
  O  O42  1  0.959  0.355  0.400  1.0
  O  O43  1  0.541  0.355  0.900  1.0
  O  O44  1  0.524  0.910  0.896  1.0
  O  O45  1  0.809  0.657  0.451  1.0
  O  O46  1  0.650  0.375  0.209  1.0
  O  O47  1  0.919  0.803  0.810  1.0
[/CIF]
.
The compound described by CuBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one O(8), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form distorted edge-sharing BiO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one Bi(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(1) and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(2) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.635
_cell_length_b   6.435
_cell_length_c   10.844
_cell_angle_alpha   86.797
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   671.313
_cell_formula_units_Z   8
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  0.101  0.809  0.880  1.0
  Cu  Cu1  1  0.015  0.369  0.623  1.0
  Cu  Cu2  1  0.985  0.631  0.377  1.0
  Cu  Cu3  1  0.899  0.191  0.120  1.0
  Cu  Cu4  1  0.399  0.809  0.380  1.0
  Cu  Cu5  1  0.485  0.369  0.123  1.0
  Cu  Cu6  1  0.601  0.191  0.620  1.0
  Cu  Cu7  1  0.515  0.631  0.877  1.0
  Bi  Bi8  1  0.370  0.141  0.891  1.0
  Bi  Bi9  1  0.130  0.141  0.391  1.0
  Bi  Bi10  1  0.139  0.519  0.111  1.0
  Bi  Bi11  1  0.870  0.859  0.609  1.0
  Bi  Bi12  1  0.861  0.481  0.889  1.0
  Bi  Bi13  1  0.639  0.481  0.389  1.0
  Bi  Bi14  1  0.361  0.519  0.611  1.0
  Bi  Bi15  1  0.630  0.859  0.109  1.0
  O  O16  1  0.335  0.069  0.331  1.0
  O  O17  1  0.041  0.645  0.600  1.0
  O  O18  1  0.691  0.181  0.474  1.0
  O  O19  1  0.191  0.819  0.026  1.0
  O  O20  1  0.165  0.069  0.831  1.0
  O  O21  1  0.665  0.931  0.669  1.0
  O  O22  1  0.024  0.090  0.604  1.0
  O  O23  1  0.915  0.477  0.097  1.0
  O  O24  1  0.585  0.477  0.597  1.0
  O  O25  1  0.850  0.375  0.709  1.0
  O  O26  1  0.350  0.625  0.791  1.0
  O  O27  1  0.085  0.523  0.903  1.0
  O  O28  1  0.976  0.910  0.396  1.0
  O  O29  1  0.581  0.803  0.310  1.0
  O  O30  1  0.191  0.343  0.549  1.0
  O  O31  1  0.309  0.343  0.049  1.0
  O  O32  1  0.081  0.197  0.190  1.0
  O  O33  1  0.415  0.523  0.403  1.0
  O  O34  1  0.419  0.197  0.690  1.0
  O  O35  1  0.309  0.819  0.526  1.0
  O  O36  1  0.459  0.645  0.100  1.0
  O  O37  1  0.150  0.625  0.291  1.0
  O  O38  1  0.835  0.931  0.169  1.0
  O  O39  1  0.476  0.090  0.104  1.0
  O  O40  1  0.809  0.181  0.974  1.0
  O  O41  1  0.691  0.657  0.951  1.0
  O  O42  1  0.959  0.355  0.400  1.0
  O  O43  1  0.541  0.355  0.900  1.0
  O  O44  1  0.524  0.910  0.896  1.0
  O  O45  1  0.809  0.657  0.451  1.0
  O  O46  1  0.650  0.375  0.209  1.0
  O  O47  1  0.919  0.803  0.810  1.0
[/CIF]
.