The structure described by Cu3V2O8 crystallizes in the monoclinic P2_1/c space group. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with five equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted CuO5 square pyramids that share corners with two equivalent Cu(1)O5 square pyramids and corners with five equivalent V(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_V2Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.039
_cell_length_b   6.292
_cell_length_c   6.658
_cell_angle_alpha   71.085
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.585
_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
  V  V0  1  0.384  0.251  0.852  1.0
  V  V1  1  0.116  0.251  0.352  1.0
  V  V2  1  0.884  0.749  0.648  1.0
  V  V3  1  0.616  0.749  0.148  1.0
  Cu  Cu4  1  0.241  0.736  0.393  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.259  0.736  0.893  1.0
  Cu  Cu7  1  0.741  0.264  0.107  1.0
  Cu  Cu8  1  0.759  0.264  0.607  1.0
  Cu  Cu9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.987  0.228  0.142  1.0
  O  O11  1  0.493  0.753  0.937  1.0
  O  O12  1  0.723  0.496  0.234  1.0
  O  O13  1  0.487  0.772  0.358  1.0
  O  O14  1  0.236  0.023  0.949  1.0
  O  O15  1  0.993  0.247  0.563  1.0
  O  O16  1  0.277  0.504  0.766  1.0
  O  O17  1  0.007  0.753  0.437  1.0
  O  O18  1  0.013  0.772  0.858  1.0
  O  O19  1  0.223  0.504  0.266  1.0
  O  O20  1  0.513  0.228  0.642  1.0
  O  O21  1  0.507  0.247  0.063  1.0
  O  O22  1  0.777  0.496  0.734  1.0
  O  O23  1  0.264  0.023  0.449  1.0
  O  O24  1  0.736  0.977  0.551  1.0
  O  O25  1  0.764  0.977  0.051  1.0
[/CIF]
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The structure described by Cu3V2O8 crystallizes in the monoclinic P2_1/c space group. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with five equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted CuO5 square pyramids that share corners with two equivalent Cu(1)O5 square pyramids and corners with five equivalent V(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_V2Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.039
_cell_length_b   6.292
_cell_length_c   6.658
_cell_angle_alpha   71.085
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.585
_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
  V  V0  1  0.384  0.251  0.852  1.0
  V  V1  1  0.116  0.251  0.352  1.0
  V  V2  1  0.884  0.749  0.648  1.0
  V  V3  1  0.616  0.749  0.148  1.0
  Cu  Cu4  1  0.241  0.736  0.393  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.259  0.736  0.893  1.0
  Cu  Cu7  1  0.741  0.264  0.107  1.0
  Cu  Cu8  1  0.759  0.264  0.607  1.0
  Cu  Cu9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.987  0.228  0.142  1.0
  O  O11  1  0.493  0.753  0.937  1.0
  O  O12  1  0.723  0.496  0.234  1.0
  O  O13  1  0.487  0.772  0.358  1.0
  O  O14  1  0.236  0.023  0.949  1.0
  O  O15  1  0.993  0.247  0.563  1.0
  O  O16  1  0.277  0.504  0.766  1.0
  O  O17  1  0.007  0.753  0.437  1.0
  O  O18  1  0.013  0.772  0.858  1.0
  O  O19  1  0.223  0.504  0.266  1.0
  O  O20  1  0.513  0.228  0.642  1.0
  O  O21  1  0.507  0.247  0.063  1.0
  O  O22  1  0.777  0.496  0.734  1.0
  O  O23  1  0.264  0.023  0.449  1.0
  O  O24  1  0.736  0.977  0.551  1.0
  O  O25  1  0.764  0.977  0.051  1.0
[/CIF]
.