The compound described by Zn3(VO4)2 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Zn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Zn(2), and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Zn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.642
_cell_length_c   8.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.552
_symmetry_Int_Tables_number   1
_cell_volume   304.558
_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  0.122  0.878  0.620  1.0
  V  V1  1  0.878  0.122  0.380  1.0
  V  V2  1  0.378  0.622  0.120  1.0
  V  V3  1  0.622  0.378  0.880  1.0
  Zn  Zn4  1  0.113  0.387  0.750  1.0
  Zn  Zn5  1  0.387  0.113  0.250  1.0
  Zn  Zn6  1  0.887  0.613  0.250  1.0
  Zn  Zn7  1  0.613  0.887  0.750  1.0
  Zn  Zn8  1  0.500  0.500  0.500  1.0
  Zn  Zn9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.655  0.890  0.500  1.0
  O  O11  1  0.890  0.655  0.500  1.0
  O  O12  1  0.845  0.610  1.000  1.0
  O  O13  1  0.610  0.845  0.000  1.0
  O  O14  1  0.345  0.110  0.500  1.0
  O  O15  1  0.110  0.345  0.500  1.0
  O  O16  1  0.155  0.390  0.000  1.0
  O  O17  1  0.390  0.155  1.000  1.0
  O  O18  1  0.500  0.500  0.744  1.0
  O  O19  1  0.500  0.500  0.256  1.0
  O  O20  1  0.750  0.250  0.774  1.0
  O  O21  1  0.250  0.750  0.226  1.0
  O  O22  1  0.750  0.250  0.274  1.0
  O  O23  1  0.250  0.750  0.726  1.0
  O  O24  1  0.000  1.000  0.756  1.0
  O  O25  1  1.000  0.000  0.244  1.0
[/CIF]
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The compound described by Zn3(VO4)2 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Zn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Zn(2), and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Zn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.642
_cell_length_c   8.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.552
_symmetry_Int_Tables_number   1
_cell_volume   304.558
_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  0.122  0.878  0.620  1.0
  V  V1  1  0.878  0.122  0.380  1.0
  V  V2  1  0.378  0.622  0.120  1.0
  V  V3  1  0.622  0.378  0.880  1.0
  Zn  Zn4  1  0.113  0.387  0.750  1.0
  Zn  Zn5  1  0.387  0.113  0.250  1.0
  Zn  Zn6  1  0.887  0.613  0.250  1.0
  Zn  Zn7  1  0.613  0.887  0.750  1.0
  Zn  Zn8  1  0.500  0.500  0.500  1.0
  Zn  Zn9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.655  0.890  0.500  1.0
  O  O11  1  0.890  0.655  0.500  1.0
  O  O12  1  0.845  0.610  1.000  1.0
  O  O13  1  0.610  0.845  0.000  1.0
  O  O14  1  0.345  0.110  0.500  1.0
  O  O15  1  0.110  0.345  0.500  1.0
  O  O16  1  0.155  0.390  0.000  1.0
  O  O17  1  0.390  0.155  1.000  1.0
  O  O18  1  0.500  0.500  0.744  1.0
  O  O19  1  0.500  0.500  0.256  1.0
  O  O20  1  0.750  0.250  0.774  1.0
  O  O21  1  0.250  0.750  0.226  1.0
  O  O22  1  0.750  0.250  0.274  1.0
  O  O23  1  0.250  0.750  0.726  1.0
  O  O24  1  0.000  1.000  0.756  1.0
  O  O25  1  1.000  0.000  0.244  1.0
[/CIF]
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