The crystal structure described by ZnV2O6 crystallizes in the monoclinic Pc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), 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 distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   4.929
_cell_length_c   9.474
_cell_angle_alpha   58.510
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.374
_cell_formula_units_Z   2
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  0.250  0.454  0.017  1.0
  V  V1  1  0.734  0.958  0.044  1.0
  V  V2  1  0.750  0.454  0.517  1.0
  V  V3  1  0.266  0.958  0.544  1.0
  Zn  Zn4  1  0.792  0.687  0.768  1.0
  Zn  Zn5  1  0.208  0.687  0.268  1.0
  O  O6  1  0.577  0.752  0.566  1.0
  O  O7  1  0.467  0.374  0.438  1.0
  O  O8  1  0.016  0.302  0.934  1.0
  O  O9  1  0.951  0.704  0.027  1.0
  O  O10  1  0.984  0.302  0.434  1.0
  O  O11  1  0.049  0.704  0.527  1.0
  O  O12  1  0.423  0.752  0.066  1.0
  O  O13  1  0.533  0.374  0.938  1.0
  O  O14  1  0.739  0.136  0.714  1.0
  O  O15  1  0.261  0.136  0.214  1.0
  O  O16  1  0.221  0.870  0.739  1.0
  O  O17  1  0.779  0.870  0.239  1.0
[/CIF]
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The crystal structure described by ZnV2O6 crystallizes in the monoclinic Pc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), 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 distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   4.929
_cell_length_c   9.474
_cell_angle_alpha   58.510
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.374
_cell_formula_units_Z   2
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  0.250  0.454  0.017  1.0
  V  V1  1  0.734  0.958  0.044  1.0
  V  V2  1  0.750  0.454  0.517  1.0
  V  V3  1  0.266  0.958  0.544  1.0
  Zn  Zn4  1  0.792  0.687  0.768  1.0
  Zn  Zn5  1  0.208  0.687  0.268  1.0
  O  O6  1  0.577  0.752  0.566  1.0
  O  O7  1  0.467  0.374  0.438  1.0
  O  O8  1  0.016  0.302  0.934  1.0
  O  O9  1  0.951  0.704  0.027  1.0
  O  O10  1  0.984  0.302  0.434  1.0
  O  O11  1  0.049  0.704  0.527  1.0
  O  O12  1  0.423  0.752  0.066  1.0
  O  O13  1  0.533  0.374  0.938  1.0
  O  O14  1  0.739  0.136  0.714  1.0
  O  O15  1  0.261  0.136  0.214  1.0
  O  O16  1  0.221  0.870  0.739  1.0
  O  O17  1  0.779  0.870  0.239  1.0
[/CIF]
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