The material described by MgCu2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one W(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent Cu(1)O4 tetrahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent W(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted CuO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-67°. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one W(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.445
_cell_length_b   5.262
_cell_length_c   6.365
_cell_angle_alpha   87.271
_cell_angle_beta   87.973
_cell_angle_gamma   72.837
_symmetry_Int_Tables_number   1
_cell_volume   174.022
_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  0.383  0.450  0.630  1.0
  Cu  Cu1  1  0.702  0.871  0.644  1.0
  Cu  Cu2  1  0.401  0.127  0.277  1.0
  W  W3  1  0.996  0.726  0.154  1.0
  W  W4  1  0.979  0.252  0.864  1.0
  O  O5  1  0.176  1.000  0.100  1.0
  O  O6  1  0.792  0.987  0.906  1.0
  O  O7  1  0.246  0.119  0.671  1.0
  O  O8  1  0.744  0.909  0.345  1.0
  O  O9  1  0.241  0.522  0.341  1.0
  O  O10  1  0.730  0.464  0.681  1.0
  O  O11  1  0.178  0.524  0.896  1.0
  O  O12  1  0.809  0.475  0.105  1.0
[/CIF]
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The material described by MgCu2(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one W(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent Cu(1)O4 tetrahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent W(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted CuO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-67°. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one W(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one W(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.445
_cell_length_b   5.262
_cell_length_c   6.365
_cell_angle_alpha   87.271
_cell_angle_beta   87.973
_cell_angle_gamma   72.837
_symmetry_Int_Tables_number   1
_cell_volume   174.022
_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  0.383  0.450  0.630  1.0
  Cu  Cu1  1  0.702  0.871  0.644  1.0
  Cu  Cu2  1  0.401  0.127  0.277  1.0
  W  W3  1  0.996  0.726  0.154  1.0
  W  W4  1  0.979  0.252  0.864  1.0
  O  O5  1  0.176  1.000  0.100  1.0
  O  O6  1  0.792  0.987  0.906  1.0
  O  O7  1  0.246  0.119  0.671  1.0
  O  O8  1  0.744  0.909  0.345  1.0
  O  O9  1  0.241  0.522  0.341  1.0
  O  O10  1  0.730  0.464  0.681  1.0
  O  O11  1  0.178  0.524  0.896  1.0
  O  O12  1  0.809  0.475  0.105  1.0
[/CIF]
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