The crystal structure described by Cu3(OH)2V2O7 crystallizes in the monoclinic C2/m space group. The structure consists of four 1333-74-0 atoms inside a V2(CuO3)3 framework. In the V2(CuO3)3 framework, V(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu3H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.122
_cell_length_b   6.122
_cell_length_c   7.424
_cell_angle_alpha   82.534
_cell_angle_beta   82.534
_cell_angle_gamma   55.159
_symmetry_Int_Tables_number   1
_cell_volume   225.872
_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
  V  V0  1  0.504  0.504  0.257  1.0
  V  V1  1  0.496  0.496  0.743  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.838  0.838  0.459  1.0
  H  H6  1  0.162  0.162  0.541  1.0
  O  O7  1  0.151  0.151  0.098  1.0
  O  O8  1  0.849  0.849  0.902  1.0
  O  O9  1  0.666  0.666  0.141  1.0
  O  O10  1  0.334  0.334  0.859  1.0
  O  O11  1  0.671  0.190  0.188  1.0
  O  O12  1  0.329  0.810  0.812  1.0
  O  O13  1  0.810  0.329  0.812  1.0
  O  O14  1  0.190  0.671  0.188  1.0
  O  O15  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Cu3(OH)2V2O7 crystallizes in the monoclinic C2/m space group. The structure consists of four 1333-74-0 atoms inside a V2(CuO3)3 framework. In the V2(CuO3)3 framework, V(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu3H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.122
_cell_length_b   6.122
_cell_length_c   7.424
_cell_angle_alpha   82.534
_cell_angle_beta   82.534
_cell_angle_gamma   55.159
_symmetry_Int_Tables_number   1
_cell_volume   225.872
_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
  V  V0  1  0.504  0.504  0.257  1.0
  V  V1  1  0.496  0.496  0.743  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.838  0.838  0.459  1.0
  H  H6  1  0.162  0.162  0.541  1.0
  O  O7  1  0.151  0.151  0.098  1.0
  O  O8  1  0.849  0.849  0.902  1.0
  O  O9  1  0.666  0.666  0.141  1.0
  O  O10  1  0.334  0.334  0.859  1.0
  O  O11  1  0.671  0.190  0.188  1.0
  O  O12  1  0.329  0.810  0.812  1.0
  O  O13  1  0.810  0.329  0.812  1.0
  O  O14  1  0.190  0.671  0.188  1.0
  O  O15  1  0.500  0.500  0.500  1.0
[/CIF]
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