The crystal structure described by V4ZnO8 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-54°. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 51-54°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form OV3Zn trigonal pyramids that share corners with two equivalent O(4)V3Zn trigonal pyramids, edges with two equivalent O(7)V3Zn2 square pyramids, and edges with two equivalent O(6)V3Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one V(3), two equivalent V(2), and two equivalent Zn(1) atoms to form distorted OV3Zn2 trigonal bipyramids that share corners with two equivalent O(7)V3Zn2 square pyramids,  an edgeedge with one O(7)V3Zn2 square pyramid, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the seventh O site, O(7) is bonded to one V(1), two equivalent V(4), and two equivalent Zn(1) atoms to form OV3Zn2 square pyramids that share corners with two equivalent O(6)V3Zn2 trigonal bipyramids, edges with two equivalent O(7)V3Zn2 square pyramids,  an edgeedge with one O(6)V3Zn2 trigonal bipyramid, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   9.556
_cell_angle_alpha   50.605
_cell_angle_beta   50.605
_cell_angle_gamma   23.631
_symmetry_Int_Tables_number   1
_cell_volume   158.522
_cell_formula_units_Z   1
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  0.374  0.374  0.433  1.0
  V  V1  1  0.858  0.858  0.798  1.0
  V  V2  1  0.160  0.160  0.165  1.0
  V  V3  1  0.649  0.649  0.507  1.0
  Zn  Zn4  1  0.668  0.668  0.798  1.0
  O  O5  1  0.145  0.145  0.379  1.0
  O  O6  1  0.536  0.536  0.254  1.0
  O  O7  1  0.465  0.465  0.713  1.0
  O  O8  1  0.863  0.863  0.586  1.0
  O  O9  1  0.831  0.831  0.357  1.0
  O  O10  1  0.215  0.215  0.900  1.0
  O  O11  1  0.167  0.167  0.653  1.0
  O  O12  1  0.785  0.785  0.039  1.0
[/CIF]
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The crystal structure described by V4ZnO8 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-54°. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 51-54°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form OV3Zn trigonal pyramids that share corners with two equivalent O(4)V3Zn trigonal pyramids, edges with two equivalent O(7)V3Zn2 square pyramids, and edges with two equivalent O(6)V3Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one V(3), two equivalent V(2), and two equivalent Zn(1) atoms to form distorted OV3Zn2 trigonal bipyramids that share corners with two equivalent O(7)V3Zn2 square pyramids,  an edgeedge with one O(7)V3Zn2 square pyramid, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the seventh O site, O(7) is bonded to one V(1), two equivalent V(4), and two equivalent Zn(1) atoms to form OV3Zn2 square pyramids that share corners with two equivalent O(6)V3Zn2 trigonal bipyramids, edges with two equivalent O(7)V3Zn2 square pyramids,  an edgeedge with one O(6)V3Zn2 trigonal bipyramid, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.373
_cell_length_c   9.556
_cell_angle_alpha   50.605
_cell_angle_beta   50.605
_cell_angle_gamma   23.631
_symmetry_Int_Tables_number   1
_cell_volume   158.522
_cell_formula_units_Z   1
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  0.374  0.374  0.433  1.0
  V  V1  1  0.858  0.858  0.798  1.0
  V  V2  1  0.160  0.160  0.165  1.0
  V  V3  1  0.649  0.649  0.507  1.0
  Zn  Zn4  1  0.668  0.668  0.798  1.0
  O  O5  1  0.145  0.145  0.379  1.0
  O  O6  1  0.536  0.536  0.254  1.0
  O  O7  1  0.465  0.465  0.713  1.0
  O  O8  1  0.863  0.863  0.586  1.0
  O  O9  1  0.831  0.831  0.357  1.0
  O  O10  1  0.215  0.215  0.900  1.0
  O  O11  1  0.167  0.167  0.653  1.0
  O  O12  1  0.785  0.785  0.039  1.0
[/CIF]
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