The material structure described by V4Zn3(CuO6)3(O2)2 crystallizes in the triclinic P-1 space group. The structure consists of four water atoms inside a V4Zn3(CuO6)3 framework. In the V4Zn3(CuO6)3 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(3)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(2) atom. In the second O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(3), one Zn(1), and one Zn(3) atom. In the third O site, O(5) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Cu(3), and one Zn(3) atom. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Cu(2), and one Zn(2) atom. In the seventh O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one Cu(3), and one Zn(1) atom. In the eighth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Cu(1), and one Zn(2) atom. In the ninth O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(3) atom. is represented by the CIF file [CIF]
data_V4Zn3Cu3O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   5.945
_cell_length_c   14.665
_cell_angle_alpha   89.501
_cell_angle_beta   89.626
_cell_angle_gamma   60.515
_symmetry_Int_Tables_number   1
_cell_volume   447.998
_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  0.001  0.995  0.872  1.0
  V  V1  1  0.004  0.997  0.373  1.0
  V  V2  1  0.996  0.003  0.627  1.0
  V  V3  1  0.999  0.005  0.128  1.0
  Zn  Zn4  1  0.000  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.335  0.336  0.767  1.0
  O  O11  1  0.332  0.333  0.264  1.0
  O  O12  1  0.668  0.667  0.736  1.0
  O  O13  1  0.665  0.664  0.233  1.0
  O  O14  1  0.351  0.322  0.553  1.0
  O  O15  1  0.342  0.314  0.056  1.0
  O  O16  1  0.658  0.686  0.944  1.0
  O  O17  1  0.649  0.678  0.447  1.0
  O  O18  1  0.999  0.001  0.749  1.0
  O  O19  1  0.001  0.999  0.251  1.0
  O  O20  1  0.314  0.846  0.583  1.0
  O  O21  1  0.316  0.853  0.084  1.0
  O  O22  1  0.840  0.845  0.585  1.0
  O  O23  1  0.838  0.850  0.086  1.0
  O  O24  1  0.836  0.317  0.584  1.0
  O  O25  1  0.841  0.318  0.088  1.0
  O  O26  1  0.684  0.147  0.916  1.0
  O  O27  1  0.686  0.154  0.417  1.0
  O  O28  1  0.162  0.150  0.914  1.0
  O  O29  1  0.160  0.155  0.415  1.0
  O  O30  1  0.159  0.682  0.912  1.0
  O  O31  1  0.164  0.683  0.416  1.0
[/CIF]
.
The material structure described by V4Zn3(CuO6)3(O2)2 crystallizes in the triclinic P-1 space group. The structure consists of four water atoms inside a V4Zn3(CuO6)3 framework. In the V4Zn3(CuO6)3 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(3)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Zn(2) atom. In the second O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(3), one Zn(1), and one Zn(3) atom. In the third O site, O(5) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Cu(3), and one Zn(3) atom. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Cu(2), and one Zn(2) atom. In the seventh O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one Cu(3), and one Zn(1) atom. In the eighth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Cu(1), and one Zn(2) atom. In the ninth O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(3) atom. is represented by the CIF file [CIF]
data_V4Zn3Cu3O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   5.945
_cell_length_c   14.665
_cell_angle_alpha   89.501
_cell_angle_beta   89.626
_cell_angle_gamma   60.515
_symmetry_Int_Tables_number   1
_cell_volume   447.998
_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  0.001  0.995  0.872  1.0
  V  V1  1  0.004  0.997  0.373  1.0
  V  V2  1  0.996  0.003  0.627  1.0
  V  V3  1  0.999  0.005  0.128  1.0
  Zn  Zn4  1  0.000  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.335  0.336  0.767  1.0
  O  O11  1  0.332  0.333  0.264  1.0
  O  O12  1  0.668  0.667  0.736  1.0
  O  O13  1  0.665  0.664  0.233  1.0
  O  O14  1  0.351  0.322  0.553  1.0
  O  O15  1  0.342  0.314  0.056  1.0
  O  O16  1  0.658  0.686  0.944  1.0
  O  O17  1  0.649  0.678  0.447  1.0
  O  O18  1  0.999  0.001  0.749  1.0
  O  O19  1  0.001  0.999  0.251  1.0
  O  O20  1  0.314  0.846  0.583  1.0
  O  O21  1  0.316  0.853  0.084  1.0
  O  O22  1  0.840  0.845  0.585  1.0
  O  O23  1  0.838  0.850  0.086  1.0
  O  O24  1  0.836  0.317  0.584  1.0
  O  O25  1  0.841  0.318  0.088  1.0
  O  O26  1  0.684  0.147  0.916  1.0
  O  O27  1  0.686  0.154  0.417  1.0
  O  O28  1  0.162  0.150  0.914  1.0
  O  O29  1  0.160  0.155  0.415  1.0
  O  O30  1  0.159  0.682  0.912  1.0
  O  O31  1  0.164  0.683  0.416  1.0
[/CIF]
.