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(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share edges with two equivalent W(1)O6 octahedra and edges with two equivalent W(2)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(3), and two equivalent O(4) atoms to form WO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. 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 WO6 octahedra that share 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 in a linear geometry to two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to 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   5.791
_cell_length_b   5.125
_cell_length_c   6.371
_cell_angle_alpha   90.001
_cell_angle_beta   89.997
_cell_angle_gamma   109.174
_symmetry_Int_Tables_number   1
_cell_volume   178.629
_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  1.000  0.250  0.613  1.0
  Cu  Cu1  1  0.500  0.250  0.654  1.0
  Cu  Cu2  1  0.500  0.750  0.356  1.0
  W  W3  1  1.000  0.250  0.143  1.0
  W  W4  1  0.000  0.750  0.866  1.0
  O  O5  1  0.791  0.042  0.352  1.0
  O  O6  1  0.209  0.458  0.352  1.0
  O  O7  1  0.199  0.985  0.659  1.0
  O  O8  1  0.801  0.515  0.659  1.0
  O  O9  1  0.811  0.006  0.891  1.0
  O  O10  1  0.189  0.494  0.891  1.0
  O  O11  1  0.186  0.001  0.094  1.0
  O  O12  1  0.814  0.499  0.094  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(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share edges with two equivalent W(1)O6 octahedra and edges with two equivalent W(2)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(3), and two equivalent O(4) atoms to form WO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. 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 WO6 octahedra that share 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 in a linear geometry to two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to 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   5.791
_cell_length_b   5.125
_cell_length_c   6.371
_cell_angle_alpha   90.001
_cell_angle_beta   89.997
_cell_angle_gamma   109.174
_symmetry_Int_Tables_number   1
_cell_volume   178.629
_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  1.000  0.250  0.613  1.0
  Cu  Cu1  1  0.500  0.250  0.654  1.0
  Cu  Cu2  1  0.500  0.750  0.356  1.0
  W  W3  1  1.000  0.250  0.143  1.0
  W  W4  1  0.000  0.750  0.866  1.0
  O  O5  1  0.791  0.042  0.352  1.0
  O  O6  1  0.209  0.458  0.352  1.0
  O  O7  1  0.199  0.985  0.659  1.0
  O  O8  1  0.801  0.515  0.659  1.0
  O  O9  1  0.811  0.006  0.891  1.0
  O  O10  1  0.189  0.494  0.891  1.0
  O  O11  1  0.186  0.001  0.094  1.0
  O  O12  1  0.814  0.499  0.094  1.0
[/CIF]
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