The compound described by CuSeO3 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 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted edge-sharing CuO6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.275
_cell_length_b   7.705
_cell_length_c   10.615
_cell_angle_alpha   52.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.158
_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  0.796  0.557  0.971  1.0
  Cu  Cu1  1  0.401  0.202  0.385  1.0
  Cu  Cu2  1  0.599  0.798  0.615  1.0
  Cu  Cu3  1  0.901  0.798  0.115  1.0
  Cu  Cu4  1  0.204  0.443  0.029  1.0
  Cu  Cu5  1  0.099  0.202  0.885  1.0
  Cu  Cu6  1  0.296  0.443  0.529  1.0
  Cu  Cu7  1  0.704  0.557  0.471  1.0
  Se  Se8  1  0.364  0.903  0.793  1.0
  Se  Se9  1  0.532  0.649  0.170  1.0
  Se  Se10  1  0.136  0.903  0.293  1.0
  Se  Se11  1  0.468  0.351  0.830  1.0
  Se  Se12  1  0.636  0.097  0.207  1.0
  Se  Se13  1  0.032  0.351  0.330  1.0
  Se  Se14  1  0.968  0.649  0.670  1.0
  Se  Se15  1  0.864  0.097  0.707  1.0
  O  O16  1  0.197  0.749  0.839  1.0
  O  O17  1  0.437  0.462  0.158  1.0
  O  O18  1  0.568  0.471  0.369  1.0
  O  O19  1  0.280  0.335  0.913  1.0
  O  O20  1  0.303  0.749  0.339  1.0
  O  O21  1  0.697  0.251  0.661  1.0
  O  O22  1  0.720  0.665  0.087  1.0
  O  O23  1  0.068  0.529  0.131  1.0
  O  O24  1  0.063  0.462  0.658  1.0
  O  O25  1  0.280  0.146  0.732  1.0
  O  O26  1  0.803  0.251  0.161  1.0
  O  O27  1  0.918  0.040  0.887  1.0
  O  O28  1  0.932  0.471  0.869  1.0
  O  O29  1  0.720  0.854  0.268  1.0
  O  O30  1  0.432  0.529  0.631  1.0
  O  O31  1  0.563  0.538  0.842  1.0
  O  O32  1  0.220  0.146  0.232  1.0
  O  O33  1  0.937  0.538  0.342  1.0
  O  O34  1  0.780  0.665  0.587  1.0
  O  O35  1  0.582  0.040  0.387  1.0
  O  O36  1  0.780  0.854  0.768  1.0
  O  O37  1  0.418  0.960  0.613  1.0
  O  O38  1  0.220  0.335  0.413  1.0
  O  O39  1  0.082  0.960  0.113  1.0
[/CIF]
.
The compound described by CuSeO3 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 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted edge-sharing CuO6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.275
_cell_length_b   7.705
_cell_length_c   10.615
_cell_angle_alpha   52.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.158
_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  0.796  0.557  0.971  1.0
  Cu  Cu1  1  0.401  0.202  0.385  1.0
  Cu  Cu2  1  0.599  0.798  0.615  1.0
  Cu  Cu3  1  0.901  0.798  0.115  1.0
  Cu  Cu4  1  0.204  0.443  0.029  1.0
  Cu  Cu5  1  0.099  0.202  0.885  1.0
  Cu  Cu6  1  0.296  0.443  0.529  1.0
  Cu  Cu7  1  0.704  0.557  0.471  1.0
  Se  Se8  1  0.364  0.903  0.793  1.0
  Se  Se9  1  0.532  0.649  0.170  1.0
  Se  Se10  1  0.136  0.903  0.293  1.0
  Se  Se11  1  0.468  0.351  0.830  1.0
  Se  Se12  1  0.636  0.097  0.207  1.0
  Se  Se13  1  0.032  0.351  0.330  1.0
  Se  Se14  1  0.968  0.649  0.670  1.0
  Se  Se15  1  0.864  0.097  0.707  1.0
  O  O16  1  0.197  0.749  0.839  1.0
  O  O17  1  0.437  0.462  0.158  1.0
  O  O18  1  0.568  0.471  0.369  1.0
  O  O19  1  0.280  0.335  0.913  1.0
  O  O20  1  0.303  0.749  0.339  1.0
  O  O21  1  0.697  0.251  0.661  1.0
  O  O22  1  0.720  0.665  0.087  1.0
  O  O23  1  0.068  0.529  0.131  1.0
  O  O24  1  0.063  0.462  0.658  1.0
  O  O25  1  0.280  0.146  0.732  1.0
  O  O26  1  0.803  0.251  0.161  1.0
  O  O27  1  0.918  0.040  0.887  1.0
  O  O28  1  0.932  0.471  0.869  1.0
  O  O29  1  0.720  0.854  0.268  1.0
  O  O30  1  0.432  0.529  0.631  1.0
  O  O31  1  0.563  0.538  0.842  1.0
  O  O32  1  0.220  0.146  0.232  1.0
  O  O33  1  0.937  0.538  0.342  1.0
  O  O34  1  0.780  0.665  0.587  1.0
  O  O35  1  0.582  0.040  0.387  1.0
  O  O36  1  0.780  0.854  0.768  1.0
  O  O37  1  0.418  0.960  0.613  1.0
  O  O38  1  0.220  0.335  0.413  1.0
  O  O39  1  0.082  0.960  0.113  1.0
[/CIF]
.