The material structure described by ReZnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with eight equivalent Zn(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   4.695
_cell_length_c   3.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.534
_symmetry_Int_Tables_number   1
_cell_volume   68.514
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.218  0.218  0.500  1.0
  O  O3  1  0.687  0.313  0.000  1.0
  O  O4  1  0.313  0.687  0.000  1.0
  O  O5  1  0.782  0.782  0.500  1.0
[/CIF]
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The material structure described by ReZnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with eight equivalent Zn(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   4.695
_cell_length_c   3.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.534
_symmetry_Int_Tables_number   1
_cell_volume   68.514
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.218  0.218  0.500  1.0
  O  O3  1  0.687  0.313  0.000  1.0
  O  O4  1  0.313  0.687  0.000  1.0
  O  O5  1  0.782  0.782  0.500  1.0
[/CIF]
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