The crystal structure described by Zn3(OH)2V2O7O2 crystallizes in the monoclinic C2 space group. The structure consists of four water atoms inside a Zn3(OH)2V2O7 framework. In the Zn3(OH)2V2O7 framework, V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Zn(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form ZnO6 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(2)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Zn(1), two equivalent Zn(2), and one H(1) atom to form distorted corner-sharing OZn3H tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2Zn3H2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   7.209
_cell_angle_alpha   89.939
_cell_angle_beta   89.939
_cell_angle_gamma   59.723
_symmetry_Int_Tables_number   1
_cell_volume   233.973
_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  1.000  0.000  0.250  1.0
  V  V1  1  1.000  0.000  0.750  1.0
  Zn  Zn2  1  0.499  0.501  0.500  1.0
  Zn  Zn3  1  0.999  0.501  0.499  1.0
  Zn  Zn4  1  0.499  0.001  0.501  1.0
  H  H5  1  0.664  0.668  0.766  1.0
  H  H6  1  0.332  0.336  0.234  1.0
  O  O7  1  0.152  0.155  0.668  1.0
  O  O8  1  0.691  0.156  0.669  1.0
  O  O9  1  0.155  0.691  0.670  1.0
  O  O10  1  0.845  0.848  0.332  1.0
  O  O11  1  0.309  0.845  0.330  1.0
  O  O12  1  0.844  0.309  0.331  1.0
  O  O13  1  0.665  0.668  0.628  1.0
  O  O14  1  0.332  0.335  0.372  1.0
  O  O15  1  0.999  0.001  0.000  1.0
  O  O16  1  0.747  0.628  0.002  1.0
  O  O17  1  0.372  0.253  0.998  1.0
[/CIF]
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The crystal structure described by Zn3(OH)2V2O7O2 crystallizes in the monoclinic C2 space group. The structure consists of four water atoms inside a Zn3(OH)2V2O7 framework. In the Zn3(OH)2V2O7 framework, V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Zn(2)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form ZnO6 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(2)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Zn(1), two equivalent Zn(2), and one H(1) atom to form distorted corner-sharing OZn3H tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2Zn3H2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   7.209
_cell_angle_alpha   89.939
_cell_angle_beta   89.939
_cell_angle_gamma   59.723
_symmetry_Int_Tables_number   1
_cell_volume   233.973
_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  1.000  0.000  0.250  1.0
  V  V1  1  1.000  0.000  0.750  1.0
  Zn  Zn2  1  0.499  0.501  0.500  1.0
  Zn  Zn3  1  0.999  0.501  0.499  1.0
  Zn  Zn4  1  0.499  0.001  0.501  1.0
  H  H5  1  0.664  0.668  0.766  1.0
  H  H6  1  0.332  0.336  0.234  1.0
  O  O7  1  0.152  0.155  0.668  1.0
  O  O8  1  0.691  0.156  0.669  1.0
  O  O9  1  0.155  0.691  0.670  1.0
  O  O10  1  0.845  0.848  0.332  1.0
  O  O11  1  0.309  0.845  0.330  1.0
  O  O12  1  0.844  0.309  0.331  1.0
  O  O13  1  0.665  0.668  0.628  1.0
  O  O14  1  0.332  0.335  0.372  1.0
  O  O15  1  0.999  0.001  0.000  1.0
  O  O16  1  0.747  0.628  0.002  1.0
  O  O17  1  0.372  0.253  0.998  1.0
[/CIF]
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