The material described by Zn2V2O7 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2Zn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.514
_cell_length_c   5.514
_cell_angle_alpha   101.145
_cell_angle_beta   101.474
_cell_angle_gamma   101.474
_symmetry_Int_Tables_number   1
_cell_volume   144.360
_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  0.097  0.777  0.777  1.0
  V  V1  1  0.903  0.223  0.223  1.0
  Zn  Zn2  1  0.500  0.316  0.684  1.0
  Zn  Zn3  1  0.500  0.684  0.316  1.0
  O  O4  1  0.775  0.581  0.581  1.0
  O  O5  1  0.225  0.419  0.419  1.0
  O  O6  1  0.710  0.381  0.047  1.0
  O  O7  1  0.290  0.953  0.619  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.290  0.619  0.953  1.0
  O  O10  1  0.710  0.047  0.381  1.0
[/CIF]
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The material described by Zn2V2O7 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2Zn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.514
_cell_length_c   5.514
_cell_angle_alpha   101.145
_cell_angle_beta   101.474
_cell_angle_gamma   101.474
_symmetry_Int_Tables_number   1
_cell_volume   144.360
_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  0.097  0.777  0.777  1.0
  V  V1  1  0.903  0.223  0.223  1.0
  Zn  Zn2  1  0.500  0.316  0.684  1.0
  Zn  Zn3  1  0.500  0.684  0.316  1.0
  O  O4  1  0.775  0.581  0.581  1.0
  O  O5  1  0.225  0.419  0.419  1.0
  O  O6  1  0.710  0.381  0.047  1.0
  O  O7  1  0.290  0.953  0.619  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.290  0.619  0.953  1.0
  O  O10  1  0.710  0.047  0.381  1.0
[/CIF]
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