The material structure described by V4ZnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent V(2)O6 octahedra and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   6.099
_cell_angle_alpha   58.271
_cell_angle_beta   58.271
_cell_angle_gamma   58.271
_symmetry_Int_Tables_number   1
_cell_volume   154.031
_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  0.000  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.273  0.757  0.757  1.0
  O  O6  1  0.243  0.243  0.727  1.0
  O  O7  1  0.727  0.243  0.243  1.0
  O  O8  1  0.243  0.727  0.243  1.0
  O  O9  1  0.269  0.269  0.269  1.0
  O  O10  1  0.731  0.731  0.731  1.0
  O  O11  1  0.757  0.273  0.757  1.0
  O  O12  1  0.757  0.757  0.273  1.0
[/CIF]
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The material structure described by V4ZnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent V(2)O6 octahedra and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   6.099
_cell_angle_alpha   58.271
_cell_angle_beta   58.271
_cell_angle_gamma   58.271
_symmetry_Int_Tables_number   1
_cell_volume   154.031
_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  0.000  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.273  0.757  0.757  1.0
  O  O6  1  0.243  0.243  0.727  1.0
  O  O7  1  0.727  0.243  0.243  1.0
  O  O8  1  0.243  0.727  0.243  1.0
  O  O9  1  0.269  0.269  0.269  1.0
  O  O10  1  0.731  0.731  0.731  1.0
  O  O11  1  0.757  0.273  0.757  1.0
  O  O12  1  0.757  0.757  0.273  1.0
[/CIF]
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