The 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 VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(6) atoms. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-51°. 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(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one O(7) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one O(5) atom. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth Zn site, Zn(4) is bonded in a water-like geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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 distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Zn(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Zn(3), and one Zn(4) atom. is represented by the CIF file [CIF]
data_VZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   7.731
_cell_length_c   9.549
_cell_angle_alpha   94.429
_cell_angle_beta   90.992
_cell_angle_gamma   98.718
_symmetry_Int_Tables_number   1
_cell_volume   213.018
_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  0.838  0.161  0.528  1.0
  V  V1  1  0.481  0.440  0.297  1.0
  V  V2  1  0.503  0.518  0.740  1.0
  V  V3  1  0.147  0.802  0.514  1.0
  Zn  Zn4  1  0.533  0.863  0.203  1.0
  Zn  Zn5  1  0.407  0.060  0.848  1.0
  Zn  Zn6  1  0.986  0.823  0.979  1.0
  Zn  Zn7  1  0.973  0.312  0.965  1.0
  O  O8  1  0.601  0.701  0.631  1.0
  O  O9  1  0.941  0.376  0.658  1.0
  O  O10  1  0.050  0.595  0.372  1.0
  O  O11  1  0.384  0.260  0.406  1.0
  O  O12  1  0.291  0.045  0.632  1.0
  O  O13  1  0.958  0.388  0.167  1.0
  O  O14  1  0.693  0.920  0.408  1.0
  O  O15  1  0.023  0.576  0.877  1.0
[/CIF]
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The 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 VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(6) atoms. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-51°. 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(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one O(7) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one O(5) atom. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth Zn site, Zn(4) is bonded in a water-like geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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 distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Zn(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Zn(3), and one Zn(4) atom. is represented by the CIF file [CIF]
data_VZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   7.731
_cell_length_c   9.549
_cell_angle_alpha   94.429
_cell_angle_beta   90.992
_cell_angle_gamma   98.718
_symmetry_Int_Tables_number   1
_cell_volume   213.018
_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  0.838  0.161  0.528  1.0
  V  V1  1  0.481  0.440  0.297  1.0
  V  V2  1  0.503  0.518  0.740  1.0
  V  V3  1  0.147  0.802  0.514  1.0
  Zn  Zn4  1  0.533  0.863  0.203  1.0
  Zn  Zn5  1  0.407  0.060  0.848  1.0
  Zn  Zn6  1  0.986  0.823  0.979  1.0
  Zn  Zn7  1  0.973  0.312  0.965  1.0
  O  O8  1  0.601  0.701  0.631  1.0
  O  O9  1  0.941  0.376  0.658  1.0
  O  O10  1  0.050  0.595  0.372  1.0
  O  O11  1  0.384  0.260  0.406  1.0
  O  O12  1  0.291  0.045  0.632  1.0
  O  O13  1  0.958  0.388  0.167  1.0
  O  O14  1  0.693  0.920  0.408  1.0
  O  O15  1  0.023  0.576  0.877  1.0
[/CIF]
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