The material structure described by V2(CuO3)3O2 crystallizes in the monoclinic C2/m space group. The structure consists of four water 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(1) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)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(5) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 trigonal planar geometry to one V(1) and two equivalent Cu(2) atoms. In the third O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_V2Cu3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.100
_cell_length_c   7.354
_cell_angle_alpha   83.467
_cell_angle_beta   83.467
_cell_angle_gamma   54.831
_symmetry_Int_Tables_number   1
_cell_volume   221.819
_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  0.506  0.506  0.256  1.0
  V  V1  1  0.494  0.494  0.744  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.675  0.191  0.185  1.0
  O  O6  1  0.325  0.809  0.815  1.0
  O  O7  1  0.809  0.325  0.815  1.0
  O  O8  1  0.191  0.675  0.185  1.0
  O  O9  1  0.668  0.668  0.143  1.0
  O  O10  1  0.332  0.332  0.857  1.0
  O  O11  1  0.823  0.823  0.529  1.0
  O  O12  1  0.177  0.177  0.471  1.0
  O  O13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.154  0.154  0.102  1.0
  O  O15  1  0.846  0.846  0.898  1.0
[/CIF]
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The material structure described by V2(CuO3)3O2 crystallizes in the monoclinic C2/m space group. The structure consists of four water 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(1) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)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(5) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) 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. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 trigonal planar geometry to one V(1) and two equivalent Cu(2) atoms. In the third O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_V2Cu3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.100
_cell_length_c   7.354
_cell_angle_alpha   83.467
_cell_angle_beta   83.467
_cell_angle_gamma   54.831
_symmetry_Int_Tables_number   1
_cell_volume   221.819
_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  0.506  0.506  0.256  1.0
  V  V1  1  0.494  0.494  0.744  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.675  0.191  0.185  1.0
  O  O6  1  0.325  0.809  0.815  1.0
  O  O7  1  0.809  0.325  0.815  1.0
  O  O8  1  0.191  0.675  0.185  1.0
  O  O9  1  0.668  0.668  0.143  1.0
  O  O10  1  0.332  0.332  0.857  1.0
  O  O11  1  0.823  0.823  0.529  1.0
  O  O12  1  0.177  0.177  0.471  1.0
  O  O13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.154  0.154  0.102  1.0
  O  O15  1  0.846  0.846  0.898  1.0
[/CIF]
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