The material structure described by V3Zn2O8 crystallizes in the trigonal R-3m space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent V(1)O6 octahedra. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_V3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.935
_cell_angle_alpha   60.287
_cell_angle_beta   60.290
_cell_angle_gamma   60.287
_symmetry_Int_Tables_number   1
_cell_volume   148.757
_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
  O  O0  1  0.618  0.618  0.618  1.0
  O  O1  1  0.132  0.132  0.132  1.0
  O  O2  1  0.630  0.162  0.630  1.0
  O  O3  1  0.120  0.588  0.120  1.0
  O  O4  1  0.120  0.120  0.588  1.0
  O  O5  1  0.588  0.120  0.120  1.0
  O  O6  1  0.162  0.630  0.630  1.0
  O  O7  1  0.630  0.630  0.162  1.0
  V  V8  1  0.375  0.375  0.875  1.0
  V  V9  1  0.875  0.375  0.375  1.0
  V  V10  1  0.375  0.875  0.375  1.0
  Zn  Zn11  1  0.993  0.993  0.993  1.0
  Zn  Zn12  1  0.757  0.757  0.757  1.0
[/CIF]
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The material structure described by V3Zn2O8 crystallizes in the trigonal R-3m space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent V(1)O6 octahedra. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_V3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.935
_cell_angle_alpha   60.287
_cell_angle_beta   60.290
_cell_angle_gamma   60.287
_symmetry_Int_Tables_number   1
_cell_volume   148.757
_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
  O  O0  1  0.618  0.618  0.618  1.0
  O  O1  1  0.132  0.132  0.132  1.0
  O  O2  1  0.630  0.162  0.630  1.0
  O  O3  1  0.120  0.588  0.120  1.0
  O  O4  1  0.120  0.120  0.588  1.0
  O  O5  1  0.588  0.120  0.120  1.0
  O  O6  1  0.162  0.630  0.630  1.0
  O  O7  1  0.630  0.630  0.162  1.0
  V  V8  1  0.375  0.375  0.875  1.0
  V  V9  1  0.875  0.375  0.375  1.0
  V  V10  1  0.375  0.875  0.375  1.0
  Zn  Zn11  1  0.993  0.993  0.993  1.0
  Zn  Zn12  1  0.757  0.757  0.757  1.0
[/CIF]
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