The crystal structure described by VZnO2 crystallizes in the triclinic P1 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 a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(8) atoms. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth Zn site, Zn(4) is bonded in a single-bond geometry to one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one V(3), two equivalent V(4), and one Zn(2) atom to form distorted OV3Zn tetrahedra that share corners with two equivalent O(1)V3Zn tetrahedra, corners with two equivalent O(5)V3Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(6)V3Zn2 trigonal bipyramid,  an edgeedge with one O(7)V3Zn tetrahedra, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. 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 distorted 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 distorted OV3Zn tetrahedra that share corners with two equivalent O(4)V3Zn tetrahedra, corners with two equivalent O(5)V3Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(8)V3Zn2 trigonal bipyramid,  an edgeedge with one O(5)V3Zn tetrahedra, and edges with two equivalent O(6)V3Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one V(4), two equivalent V(1), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. 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  a cornercorner with one O(1)V3Zn tetrahedra, edges with two equivalent O(4)V3Zn tetrahedra, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one V(1), two equivalent V(4), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the eighth O site, O(8) is bonded to one V(2), two equivalent V(3), and two equivalent Zn(2) atoms to form distorted OV3Zn2 trigonal bipyramids that share  a cornercorner with one O(4)V3Zn tetrahedra, edges with two equivalent O(1)V3Zn tetrahedra, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.056
_cell_length_b   7.630
_cell_length_c   8.455
_cell_angle_alpha   88.180
_cell_angle_beta   100.192
_cell_angle_gamma   101.490
_symmetry_Int_Tables_number   1
_cell_volume   190.123
_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  0.823  0.484  0.176  1.0
  V  V1  1  0.634  0.786  0.508  1.0
  V  V2  1  0.314  0.183  0.470  1.0
  V  V3  1  0.144  0.488  0.808  1.0
  Zn  Zn4  1  0.547  0.882  0.197  1.0
  Zn  Zn5  1  0.474  0.092  0.784  1.0
  Zn  Zn6  1  0.932  0.858  0.899  1.0
  Zn  Zn7  1  0.105  0.112  0.073  1.0
  O  O8  1  0.520  0.342  0.707  1.0
  O  O9  1  0.809  0.294  0.349  1.0
  O  O10  1  0.142  0.681  0.634  1.0
  O  O11  1  0.445  0.631  0.276  1.0
  O  O12  1  0.197  0.360  0.044  1.0
  O  O13  1  0.141  0.927  0.377  1.0
  O  O14  1  0.771  0.612  0.939  1.0
  O  O15  1  0.810  0.044  0.599  1.0
[/CIF]
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The crystal structure described by VZnO2 crystallizes in the triclinic P1 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 a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(8) atoms. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth Zn site, Zn(4) is bonded in a single-bond geometry to one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one V(3), two equivalent V(4), and one Zn(2) atom to form distorted OV3Zn tetrahedra that share corners with two equivalent O(1)V3Zn tetrahedra, corners with two equivalent O(5)V3Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(6)V3Zn2 trigonal bipyramid,  an edgeedge with one O(7)V3Zn tetrahedra, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. 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 distorted 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 distorted OV3Zn tetrahedra that share corners with two equivalent O(4)V3Zn tetrahedra, corners with two equivalent O(5)V3Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(8)V3Zn2 trigonal bipyramid,  an edgeedge with one O(5)V3Zn tetrahedra, and edges with two equivalent O(6)V3Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one V(4), two equivalent V(1), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. 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  a cornercorner with one O(1)V3Zn tetrahedra, edges with two equivalent O(4)V3Zn tetrahedra, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one V(1), two equivalent V(4), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OV3Zn tetrahedra. In the eighth O site, O(8) is bonded to one V(2), two equivalent V(3), and two equivalent Zn(2) atoms to form distorted OV3Zn2 trigonal bipyramids that share  a cornercorner with one O(4)V3Zn tetrahedra, edges with two equivalent O(1)V3Zn tetrahedra, edges with two equivalent O(6)V3Zn2 trigonal bipyramids, and edges with two equivalent O(8)V3Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.056
_cell_length_b   7.630
_cell_length_c   8.455
_cell_angle_alpha   88.180
_cell_angle_beta   100.192
_cell_angle_gamma   101.490
_symmetry_Int_Tables_number   1
_cell_volume   190.123
_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  0.823  0.484  0.176  1.0
  V  V1  1  0.634  0.786  0.508  1.0
  V  V2  1  0.314  0.183  0.470  1.0
  V  V3  1  0.144  0.488  0.808  1.0
  Zn  Zn4  1  0.547  0.882  0.197  1.0
  Zn  Zn5  1  0.474  0.092  0.784  1.0
  Zn  Zn6  1  0.932  0.858  0.899  1.0
  Zn  Zn7  1  0.105  0.112  0.073  1.0
  O  O8  1  0.520  0.342  0.707  1.0
  O  O9  1  0.809  0.294  0.349  1.0
  O  O10  1  0.142  0.681  0.634  1.0
  O  O11  1  0.445  0.631  0.276  1.0
  O  O12  1  0.197  0.360  0.044  1.0
  O  O13  1  0.141  0.927  0.377  1.0
  O  O14  1  0.771  0.612  0.939  1.0
  O  O15  1  0.810  0.044  0.599  1.0
[/CIF]
.