The crystal structure described by ZnV2O4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  a faceface with one Zn(2)O6 pentagonal pyramid. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-15°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent V(1)O6 octahedra, corners with eight equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 pentagonal pyramids, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and one Zn(2) atom to form OV3Zn trigonal pyramids that share corners with four equivalent O(3)V3Zn2 trigonal bipyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, and edges with four equivalent O(3)V3Zn2 trigonal bipyramids. In the third O site, O(3) is bonded to one V(2), two equivalent V(1), one Zn(1), and one Zn(2) atom to form OV3Zn2 trigonal bipyramids that share corners with five equivalent O(3)V3Zn2 trigonal bipyramids, corners with two equivalent O(2)V3Zn trigonal pyramids, edges with four equivalent O(3)V3Zn2 trigonal bipyramids, and edges with two equivalent O(2)V3Zn trigonal pyramids. is represented by the CIF file [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.978
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.744
_cell_formula_units_Z   4
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  0.013  0.500  0.234  1.0
  V  V1  1  0.013  0.500  0.766  1.0
  V  V2  1  0.987  0.000  0.266  1.0
  V  V3  1  0.987  0.000  0.734  1.0
  V  V4  1  0.500  0.250  0.250  1.0
  V  V5  1  0.500  0.750  0.750  1.0
  V  V6  1  0.500  0.750  0.250  1.0
  V  V7  1  0.500  0.250  0.750  1.0
  Zn  Zn8  1  0.351  0.000  0.500  1.0
  Zn  Zn9  1  0.649  0.500  0.000  1.0
  Zn  Zn10  1  0.036  0.000  0.000  1.0
  Zn  Zn11  1  0.964  0.500  0.500  1.0
  O  O12  1  0.357  0.500  0.141  1.0
  O  O13  1  0.357  0.500  0.859  1.0
  O  O14  1  0.643  0.000  0.359  1.0
  O  O15  1  0.643  0.000  0.641  1.0
  O  O16  1  0.693  0.500  0.349  1.0
  O  O17  1  0.693  0.500  0.651  1.0
  O  O18  1  0.307  0.000  0.151  1.0
  O  O19  1  0.307  0.000  0.849  1.0
  O  O20  1  0.165  0.252  0.363  1.0
  O  O21  1  0.165  0.748  0.637  1.0
  O  O22  1  0.835  0.752  0.137  1.0
  O  O23  1  0.835  0.248  0.863  1.0
  O  O24  1  0.835  0.248  0.137  1.0
  O  O25  1  0.835  0.752  0.863  1.0
  O  O26  1  0.165  0.748  0.363  1.0
  O  O27  1  0.165  0.252  0.637  1.0
[/CIF]
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The crystal structure described by ZnV2O4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  a faceface with one Zn(2)O6 pentagonal pyramid. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-15°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent V(1)O6 octahedra, corners with eight equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 pentagonal pyramids, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and one Zn(2) atom to form OV3Zn trigonal pyramids that share corners with four equivalent O(3)V3Zn2 trigonal bipyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, and edges with four equivalent O(3)V3Zn2 trigonal bipyramids. In the third O site, O(3) is bonded to one V(2), two equivalent V(1), one Zn(1), and one Zn(2) atom to form OV3Zn2 trigonal bipyramids that share corners with five equivalent O(3)V3Zn2 trigonal bipyramids, corners with two equivalent O(2)V3Zn trigonal pyramids, edges with four equivalent O(3)V3Zn2 trigonal bipyramids, and edges with two equivalent O(2)V3Zn trigonal pyramids. is represented by the CIF file [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.978
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.744
_cell_formula_units_Z   4
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  0.013  0.500  0.234  1.0
  V  V1  1  0.013  0.500  0.766  1.0
  V  V2  1  0.987  0.000  0.266  1.0
  V  V3  1  0.987  0.000  0.734  1.0
  V  V4  1  0.500  0.250  0.250  1.0
  V  V5  1  0.500  0.750  0.750  1.0
  V  V6  1  0.500  0.750  0.250  1.0
  V  V7  1  0.500  0.250  0.750  1.0
  Zn  Zn8  1  0.351  0.000  0.500  1.0
  Zn  Zn9  1  0.649  0.500  0.000  1.0
  Zn  Zn10  1  0.036  0.000  0.000  1.0
  Zn  Zn11  1  0.964  0.500  0.500  1.0
  O  O12  1  0.357  0.500  0.141  1.0
  O  O13  1  0.357  0.500  0.859  1.0
  O  O14  1  0.643  0.000  0.359  1.0
  O  O15  1  0.643  0.000  0.641  1.0
  O  O16  1  0.693  0.500  0.349  1.0
  O  O17  1  0.693  0.500  0.651  1.0
  O  O18  1  0.307  0.000  0.151  1.0
  O  O19  1  0.307  0.000  0.849  1.0
  O  O20  1  0.165  0.252  0.363  1.0
  O  O21  1  0.165  0.748  0.637  1.0
  O  O22  1  0.835  0.752  0.137  1.0
  O  O23  1  0.835  0.248  0.863  1.0
  O  O24  1  0.835  0.248  0.137  1.0
  O  O25  1  0.835  0.752  0.863  1.0
  O  O26  1  0.165  0.748  0.363  1.0
  O  O27  1  0.165  0.252  0.637  1.0
[/CIF]
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