The material structure described by ZnV2O4 crystallizes in the orthorhombic Pbcm space group. V(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form corner-sharing OV2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   9.802
_cell_length_c   9.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.840
_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  0.727  0.618  0.928  1.0
  V  V1  1  0.727  0.882  0.428  1.0
  V  V2  1  0.273  0.382  0.428  1.0
  V  V3  1  0.727  0.882  0.072  1.0
  V  V4  1  0.273  0.382  0.072  1.0
  V  V5  1  0.727  0.618  0.572  1.0
  V  V6  1  0.273  0.118  0.572  1.0
  V  V7  1  0.273  0.118  0.928  1.0
  Zn  Zn8  1  0.174  0.860  0.750  1.0
  Zn  Zn9  1  0.174  0.640  0.250  1.0
  Zn  Zn10  1  0.826  0.360  0.750  1.0
  Zn  Zn11  1  0.826  0.140  0.250  1.0
  O  O12  1  0.243  0.481  0.612  1.0
  O  O13  1  0.757  0.519  0.388  1.0
  O  O14  1  0.200  0.750  0.500  1.0
  O  O15  1  0.757  0.981  0.612  1.0
  O  O16  1  0.757  0.981  0.888  1.0
  O  O17  1  0.676  0.785  0.250  1.0
  O  O18  1  0.243  0.019  0.388  1.0
  O  O19  1  0.324  0.285  0.250  1.0
  O  O20  1  0.200  0.750  0.000  1.0
  O  O21  1  0.800  0.250  0.500  1.0
  O  O22  1  0.243  0.481  0.888  1.0
  O  O23  1  0.324  0.215  0.750  1.0
  O  O24  1  0.676  0.715  0.750  1.0
  O  O25  1  0.800  0.250  0.000  1.0
  O  O26  1  0.243  0.019  0.112  1.0
  O  O27  1  0.757  0.519  0.112  1.0
[/CIF]
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The material structure described by ZnV2O4 crystallizes in the orthorhombic Pbcm space group. V(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form corner-sharing OV2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   9.802
_cell_length_c   9.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.840
_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  0.727  0.618  0.928  1.0
  V  V1  1  0.727  0.882  0.428  1.0
  V  V2  1  0.273  0.382  0.428  1.0
  V  V3  1  0.727  0.882  0.072  1.0
  V  V4  1  0.273  0.382  0.072  1.0
  V  V5  1  0.727  0.618  0.572  1.0
  V  V6  1  0.273  0.118  0.572  1.0
  V  V7  1  0.273  0.118  0.928  1.0
  Zn  Zn8  1  0.174  0.860  0.750  1.0
  Zn  Zn9  1  0.174  0.640  0.250  1.0
  Zn  Zn10  1  0.826  0.360  0.750  1.0
  Zn  Zn11  1  0.826  0.140  0.250  1.0
  O  O12  1  0.243  0.481  0.612  1.0
  O  O13  1  0.757  0.519  0.388  1.0
  O  O14  1  0.200  0.750  0.500  1.0
  O  O15  1  0.757  0.981  0.612  1.0
  O  O16  1  0.757  0.981  0.888  1.0
  O  O17  1  0.676  0.785  0.250  1.0
  O  O18  1  0.243  0.019  0.388  1.0
  O  O19  1  0.324  0.285  0.250  1.0
  O  O20  1  0.200  0.750  0.000  1.0
  O  O21  1  0.800  0.250  0.500  1.0
  O  O22  1  0.243  0.481  0.888  1.0
  O  O23  1  0.324  0.215  0.750  1.0
  O  O24  1  0.676  0.715  0.750  1.0
  O  O25  1  0.800  0.250  0.000  1.0
  O  O26  1  0.243  0.019  0.112  1.0
  O  O27  1  0.757  0.519  0.112  1.0
[/CIF]
.