The material structure described by W3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with six equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent W(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one W(1), two equivalent W(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2W3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   5.004
_cell_angle_alpha   72.705
_cell_angle_beta   72.705
_cell_angle_gamma   54.283
_symmetry_Int_Tables_number   1
_cell_volume   160.722
_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  0.313  0.313  0.138  1.0
  Zn  Zn1  1  0.687  0.687  0.862  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.229  0.771  0.500  1.0
  W  W4  1  0.771  0.229  0.500  1.0
  O  O5  1  0.597  0.597  0.277  1.0
  O  O6  1  0.403  0.403  0.723  1.0
  O  O7  1  0.132  0.132  0.235  1.0
  O  O8  1  0.868  0.868  0.765  1.0
  O  O9  1  0.647  0.134  0.262  1.0
  O  O10  1  0.134  0.647  0.262  1.0
  O  O11  1  0.866  0.353  0.738  1.0
  O  O12  1  0.353  0.866  0.738  1.0
[/CIF]
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The material structure described by W3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with six equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent W(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one W(1), two equivalent W(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2W3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   5.004
_cell_angle_alpha   72.705
_cell_angle_beta   72.705
_cell_angle_gamma   54.283
_symmetry_Int_Tables_number   1
_cell_volume   160.722
_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  0.313  0.313  0.138  1.0
  Zn  Zn1  1  0.687  0.687  0.862  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.229  0.771  0.500  1.0
  W  W4  1  0.771  0.229  0.500  1.0
  O  O5  1  0.597  0.597  0.277  1.0
  O  O6  1  0.403  0.403  0.723  1.0
  O  O7  1  0.132  0.132  0.235  1.0
  O  O8  1  0.868  0.868  0.765  1.0
  O  O9  1  0.647  0.134  0.262  1.0
  O  O10  1  0.134  0.647  0.262  1.0
  O  O11  1  0.866  0.353  0.738  1.0
  O  O12  1  0.353  0.866  0.738  1.0
[/CIF]
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