The structure described by MgCu2(WO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent W(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and  an edgeedge with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with two equivalent Cu(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_MgCu2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   4.916
_cell_length_c   6.949
_cell_angle_alpha   90.007
_cell_angle_beta   89.994
_cell_angle_gamma   102.522
_symmetry_Int_Tables_number   1
_cell_volume   170.287
_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  0.500  0.750  0.088  1.0
  Cu  Cu1  1  0.500  0.250  0.647  1.0
  Cu  Cu2  1  0.500  0.750  0.488  1.0
  W  W3  1  1.000  0.250  0.128  1.0
  W  W4  1  0.000  0.750  0.821  1.0
  O  O5  1  0.751  0.028  0.285  1.0
  O  O6  1  0.249  0.473  0.285  1.0
  O  O7  1  0.242  0.930  0.639  1.0
  O  O8  1  0.758  0.570  0.639  1.0
  O  O9  1  0.779  0.007  0.897  1.0
  O  O10  1  0.221  0.493  0.897  1.0
  O  O11  1  0.214  0.984  0.053  1.0
  O  O12  1  0.786  0.517  0.053  1.0
[/CIF]
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The structure described by MgCu2(WO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent W(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and  an edgeedge with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with two equivalent Cu(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_MgCu2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   4.916
_cell_length_c   6.949
_cell_angle_alpha   90.007
_cell_angle_beta   89.994
_cell_angle_gamma   102.522
_symmetry_Int_Tables_number   1
_cell_volume   170.287
_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  0.500  0.750  0.088  1.0
  Cu  Cu1  1  0.500  0.250  0.647  1.0
  Cu  Cu2  1  0.500  0.750  0.488  1.0
  W  W3  1  1.000  0.250  0.128  1.0
  W  W4  1  0.000  0.750  0.821  1.0
  O  O5  1  0.751  0.028  0.285  1.0
  O  O6  1  0.249  0.473  0.285  1.0
  O  O7  1  0.242  0.930  0.639  1.0
  O  O8  1  0.758  0.570  0.639  1.0
  O  O9  1  0.779  0.007  0.897  1.0
  O  O10  1  0.221  0.493  0.897  1.0
  O  O11  1  0.214  0.984  0.053  1.0
  O  O12  1  0.786  0.517  0.053  1.0
[/CIF]
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