The material described by MgZn2(WO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one W(1), one W(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one W(1), one W(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.149
_cell_length_c   6.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   77.917
_symmetry_Int_Tables_number   1
_cell_volume   164.077
_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
  Mg  Mg0  1  0.000  0.250  0.590  1.0
  Zn  Zn1  1  0.500  0.250  0.812  1.0
  Zn  Zn2  1  0.500  0.750  0.412  1.0
  W  W3  1  0.000  0.250  0.131  1.0
  W  W4  1  0.000  0.750  0.837  1.0
  O  O5  1  0.787  0.988  0.066  1.0
  O  O6  1  0.213  0.512  0.066  1.0
  O  O7  1  0.210  0.044  0.860  1.0
  O  O8  1  0.790  0.456  0.860  1.0
  O  O9  1  0.779  0.446  0.357  1.0
  O  O10  1  0.221  0.054  0.357  1.0
  O  O11  1  0.249  0.539  0.639  1.0
  O  O12  1  0.751  0.961  0.639  1.0
[/CIF]
.
The material described by MgZn2(WO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent W(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one W(1), one W(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one W(1), one W(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one W(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.149
_cell_length_c   6.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   77.917
_symmetry_Int_Tables_number   1
_cell_volume   164.077
_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
  Mg  Mg0  1  0.000  0.250  0.590  1.0
  Zn  Zn1  1  0.500  0.250  0.812  1.0
  Zn  Zn2  1  0.500  0.750  0.412  1.0
  W  W3  1  0.000  0.250  0.131  1.0
  W  W4  1  0.000  0.750  0.837  1.0
  O  O5  1  0.787  0.988  0.066  1.0
  O  O6  1  0.213  0.512  0.066  1.0
  O  O7  1  0.210  0.044  0.860  1.0
  O  O8  1  0.790  0.456  0.860  1.0
  O  O9  1  0.779  0.446  0.357  1.0
  O  O10  1  0.221  0.054  0.357  1.0
  O  O11  1  0.249  0.539  0.639  1.0
  O  O12  1  0.751  0.961  0.639  1.0
[/CIF]
.