The crystal structure described by V3Zn2O8 crystallizes in the trigonal P31c space group. V(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded to three equivalent V(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OV3Zn trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 tetrahedra that share corners with two equivalent O(4)V2Zn2 tetrahedra,  a cornercorner with one O(2)V3Zn trigonal pyramid, edges with two equivalent O(4)V2Zn2 tetrahedra, and  an edgeedge with one O(2)V3Zn trigonal pyramid. is represented by the CIF file [CIF]
data_V3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   9.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   288.889
_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  0.838  0.163  0.743  1.0
  V  V1  1  0.837  0.676  0.743  1.0
  V  V2  1  0.324  0.162  0.743  1.0
  V  V3  1  0.675  0.837  0.243  1.0
  V  V4  1  0.162  0.325  0.243  1.0
  V  V5  1  0.163  0.838  0.243  1.0
  Zn  Zn6  1  0.667  0.333  0.026  1.0
  Zn  Zn7  1  0.333  0.667  0.526  1.0
  Zn  Zn8  1  0.667  0.333  0.423  1.0
  Zn  Zn9  1  0.333  0.667  0.923  1.0
  O  O10  1  0.000  0.000  0.354  1.0
  O  O11  1  1.000  1.000  0.854  1.0
  O  O12  1  0.333  0.667  0.133  1.0
  O  O13  1  0.667  0.333  0.633  1.0
  O  O14  1  0.841  0.167  0.146  1.0
  O  O15  1  0.674  0.834  0.646  1.0
  O  O16  1  0.161  0.326  0.646  1.0
  O  O17  1  0.833  0.674  0.146  1.0
  O  O18  1  0.326  0.159  0.146  1.0
  O  O19  1  0.166  0.839  0.646  1.0
  O  O20  1  0.515  0.481  0.862  1.0
  O  O21  1  0.034  0.520  0.362  1.0
  O  O22  1  0.486  0.966  0.362  1.0
  O  O23  1  0.519  0.034  0.862  1.0
  O  O24  1  0.966  0.485  0.862  1.0
  O  O25  1  0.480  0.514  0.362  1.0
[/CIF]
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The crystal structure described by V3Zn2O8 crystallizes in the trigonal P31c space group. V(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded to three equivalent V(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OV3Zn trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 tetrahedra that share corners with two equivalent O(4)V2Zn2 tetrahedra,  a cornercorner with one O(2)V3Zn trigonal pyramid, edges with two equivalent O(4)V2Zn2 tetrahedra, and  an edgeedge with one O(2)V3Zn trigonal pyramid. is represented by the CIF file [CIF]
data_V3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   9.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   288.889
_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  0.838  0.163  0.743  1.0
  V  V1  1  0.837  0.676  0.743  1.0
  V  V2  1  0.324  0.162  0.743  1.0
  V  V3  1  0.675  0.837  0.243  1.0
  V  V4  1  0.162  0.325  0.243  1.0
  V  V5  1  0.163  0.838  0.243  1.0
  Zn  Zn6  1  0.667  0.333  0.026  1.0
  Zn  Zn7  1  0.333  0.667  0.526  1.0
  Zn  Zn8  1  0.667  0.333  0.423  1.0
  Zn  Zn9  1  0.333  0.667  0.923  1.0
  O  O10  1  0.000  0.000  0.354  1.0
  O  O11  1  1.000  1.000  0.854  1.0
  O  O12  1  0.333  0.667  0.133  1.0
  O  O13  1  0.667  0.333  0.633  1.0
  O  O14  1  0.841  0.167  0.146  1.0
  O  O15  1  0.674  0.834  0.646  1.0
  O  O16  1  0.161  0.326  0.646  1.0
  O  O17  1  0.833  0.674  0.146  1.0
  O  O18  1  0.326  0.159  0.146  1.0
  O  O19  1  0.166  0.839  0.646  1.0
  O  O20  1  0.515  0.481  0.862  1.0
  O  O21  1  0.034  0.520  0.362  1.0
  O  O22  1  0.486  0.966  0.362  1.0
  O  O23  1  0.519  0.034  0.862  1.0
  O  O24  1  0.966  0.485  0.862  1.0
  O  O25  1  0.480  0.514  0.362  1.0
[/CIF]
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