The compound described by V3ZnO8 crystallizes in the orthorhombic Iba2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-69°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(7) atoms. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted ZnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one Zn(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.811
_cell_length_b   9.811
_cell_length_c   9.811
_cell_angle_alpha   127.900
_cell_angle_beta   118.841
_cell_angle_gamma   84.452
_symmetry_Int_Tables_number   1
_cell_volume   625.019
_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  0.740  0.776  0.920  1.0
  V  V1  1  0.260  0.180  0.036  1.0
  V  V2  1  0.856  0.276  0.536  1.0
  V  V3  1  0.144  0.680  0.420  1.0
  V  V4  1  0.490  0.940  0.128  1.0
  V  V5  1  0.510  0.638  0.450  1.0
  V  V6  1  0.812  0.440  0.950  1.0
  V  V7  1  0.188  0.138  0.628  1.0
  V  V8  1  0.811  0.462  0.317  1.0
  V  V9  1  0.189  0.506  0.651  1.0
  V  V10  1  0.145  0.962  0.151  1.0
  V  V11  1  0.855  0.006  0.817  1.0
  Zn  Zn12  1  0.483  0.328  0.502  1.0
  Zn  Zn13  1  0.517  0.019  0.845  1.0
  Zn  Zn14  1  0.826  0.828  0.345  1.0
  Zn  Zn15  1  0.174  0.519  0.002  1.0
  O  O16  1  0.357  0.056  0.249  1.0
  O  O17  1  0.643  0.892  0.699  1.0
  O  O18  1  0.807  0.556  0.199  1.0
  O  O19  1  0.193  0.392  0.749  1.0
  O  O20  1  0.648  0.200  0.382  1.0
  O  O21  1  0.352  0.734  0.552  1.0
  O  O22  1  0.819  0.700  0.052  1.0
  O  O23  1  0.181  0.234  0.882  1.0
  O  O24  1  0.600  0.847  0.226  1.0
  O  O25  1  0.400  0.625  0.247  1.0
  O  O26  1  0.621  0.347  0.747  1.0
  O  O27  1  0.379  0.125  0.726  1.0
  O  O28  1  0.702  0.249  0.111  1.0
  O  O29  1  0.298  0.409  0.547  1.0
  O  O30  1  0.138  0.749  0.047  1.0
  O  O31  1  0.862  0.909  0.611  1.0
  O  O32  1  0.849  0.221  0.918  1.0
  O  O33  1  0.151  0.069  0.372  1.0
  O  O34  1  0.303  0.721  0.872  1.0
  O  O35  1  0.697  0.569  0.418  1.0
  O  O36  1  0.073  0.542  0.162  1.0
  O  O37  1  0.927  0.089  0.469  1.0
  O  O38  1  0.380  0.042  0.969  1.0
  O  O39  1  0.620  0.589  0.662  1.0
  O  O40  1  0.062  0.568  0.471  1.0
  O  O41  1  0.938  0.409  0.507  1.0
  O  O42  1  0.097  0.068  0.007  1.0
  O  O43  1  0.903  0.909  0.971  1.0
  O  O44  1  0.091  0.878  0.494  1.0
  O  O45  1  0.909  0.403  0.787  1.0
  O  O46  1  0.384  0.378  0.287  1.0
  O  O47  1  0.616  0.903  0.994  1.0
[/CIF]
.
The compound described by V3ZnO8 crystallizes in the orthorhombic Iba2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-69°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(7) atoms. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted ZnO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one Zn(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.811
_cell_length_b   9.811
_cell_length_c   9.811
_cell_angle_alpha   127.900
_cell_angle_beta   118.841
_cell_angle_gamma   84.452
_symmetry_Int_Tables_number   1
_cell_volume   625.019
_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  0.740  0.776  0.920  1.0
  V  V1  1  0.260  0.180  0.036  1.0
  V  V2  1  0.856  0.276  0.536  1.0
  V  V3  1  0.144  0.680  0.420  1.0
  V  V4  1  0.490  0.940  0.128  1.0
  V  V5  1  0.510  0.638  0.450  1.0
  V  V6  1  0.812  0.440  0.950  1.0
  V  V7  1  0.188  0.138  0.628  1.0
  V  V8  1  0.811  0.462  0.317  1.0
  V  V9  1  0.189  0.506  0.651  1.0
  V  V10  1  0.145  0.962  0.151  1.0
  V  V11  1  0.855  0.006  0.817  1.0
  Zn  Zn12  1  0.483  0.328  0.502  1.0
  Zn  Zn13  1  0.517  0.019  0.845  1.0
  Zn  Zn14  1  0.826  0.828  0.345  1.0
  Zn  Zn15  1  0.174  0.519  0.002  1.0
  O  O16  1  0.357  0.056  0.249  1.0
  O  O17  1  0.643  0.892  0.699  1.0
  O  O18  1  0.807  0.556  0.199  1.0
  O  O19  1  0.193  0.392  0.749  1.0
  O  O20  1  0.648  0.200  0.382  1.0
  O  O21  1  0.352  0.734  0.552  1.0
  O  O22  1  0.819  0.700  0.052  1.0
  O  O23  1  0.181  0.234  0.882  1.0
  O  O24  1  0.600  0.847  0.226  1.0
  O  O25  1  0.400  0.625  0.247  1.0
  O  O26  1  0.621  0.347  0.747  1.0
  O  O27  1  0.379  0.125  0.726  1.0
  O  O28  1  0.702  0.249  0.111  1.0
  O  O29  1  0.298  0.409  0.547  1.0
  O  O30  1  0.138  0.749  0.047  1.0
  O  O31  1  0.862  0.909  0.611  1.0
  O  O32  1  0.849  0.221  0.918  1.0
  O  O33  1  0.151  0.069  0.372  1.0
  O  O34  1  0.303  0.721  0.872  1.0
  O  O35  1  0.697  0.569  0.418  1.0
  O  O36  1  0.073  0.542  0.162  1.0
  O  O37  1  0.927  0.089  0.469  1.0
  O  O38  1  0.380  0.042  0.969  1.0
  O  O39  1  0.620  0.589  0.662  1.0
  O  O40  1  0.062  0.568  0.471  1.0
  O  O41  1  0.938  0.409  0.507  1.0
  O  O42  1  0.097  0.068  0.007  1.0
  O  O43  1  0.903  0.909  0.971  1.0
  O  O44  1  0.091  0.878  0.494  1.0
  O  O45  1  0.909  0.403  0.787  1.0
  O  O46  1  0.384  0.378  0.287  1.0
  O  O47  1  0.616  0.903  0.994  1.0
[/CIF]
.