The material described by ZnV2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Zn(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OV3Zn2 square pyramids. is represented by the CIF file [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.019
_cell_length_c   6.019
_cell_angle_alpha   119.253
_cell_angle_beta   118.581
_cell_angle_gamma   91.887
_symmetry_Int_Tables_number   1
_cell_volume   156.641
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.721  0.754  0.967  1.0
  O  O7  1  0.745  0.240  0.995  1.0
  O  O8  1  0.287  0.754  0.533  1.0
  O  O9  1  0.255  0.249  0.495  1.0
  O  O10  1  0.713  0.246  0.467  1.0
  O  O11  1  0.255  0.760  0.005  1.0
  O  O12  1  0.745  0.751  0.505  1.0
  O  O13  1  0.279  0.246  0.033  1.0
[/CIF]
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The material described by ZnV2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Zn(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OV3Zn2 square pyramids. is represented by the CIF file [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.019
_cell_length_c   6.019
_cell_angle_alpha   119.253
_cell_angle_beta   118.581
_cell_angle_gamma   91.887
_symmetry_Int_Tables_number   1
_cell_volume   156.641
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.721  0.754  0.967  1.0
  O  O7  1  0.745  0.240  0.995  1.0
  O  O8  1  0.287  0.754  0.533  1.0
  O  O9  1  0.255  0.249  0.495  1.0
  O  O10  1  0.713  0.246  0.467  1.0
  O  O11  1  0.255  0.760  0.005  1.0
  O  O12  1  0.745  0.751  0.505  1.0
  O  O13  1  0.279  0.246  0.033  1.0
[/CIF]
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