The crystal structure described by Mg2WCuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra and edges with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted WO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Cu(1) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of corner and edge-sharing OMg2CuW tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMg2CuW tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of corner and edge-sharing OMg2CuW tetrahedra. is represented by the CIF file [CIF]
data_Mg2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.254
_cell_length_c   5.715
_cell_angle_alpha   62.935
_cell_angle_beta   63.936
_cell_angle_gamma   61.411
_symmetry_Int_Tables_number   1
_cell_volume   115.412
_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  0.704  0.691  0.884  1.0
  Mg  Mg1  1  0.207  0.204  0.366  1.0
  Cu  Cu2  1  0.461  0.448  0.645  1.0
  W  W3  1  0.003  0.001  0.975  1.0
  O  O4  1  0.939  0.627  0.149  1.0
  O  O5  1  0.096  0.392  0.686  1.0
  O  O6  1  0.275  0.937  0.144  1.0
  O  O7  1  0.631  0.266  0.137  1.0
  O  O8  1  0.381  0.822  0.684  1.0
  O  O9  1  0.812  0.083  0.680  1.0
[/CIF]
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The crystal structure described by Mg2WCuO6 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra and edges with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mg site, Mg(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted WO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Cu(1) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of corner and edge-sharing OMg2CuW tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one W(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMg2CuW tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(2), one W(1), and one Cu(1) atom to form a mixture of corner and edge-sharing OMg2CuW tetrahedra. is represented by the CIF file [CIF]
data_Mg2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.254
_cell_length_c   5.715
_cell_angle_alpha   62.935
_cell_angle_beta   63.936
_cell_angle_gamma   61.411
_symmetry_Int_Tables_number   1
_cell_volume   115.412
_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  0.704  0.691  0.884  1.0
  Mg  Mg1  1  0.207  0.204  0.366  1.0
  Cu  Cu2  1  0.461  0.448  0.645  1.0
  W  W3  1  0.003  0.001  0.975  1.0
  O  O4  1  0.939  0.627  0.149  1.0
  O  O5  1  0.096  0.392  0.686  1.0
  O  O6  1  0.275  0.937  0.144  1.0
  O  O7  1  0.631  0.266  0.137  1.0
  O  O8  1  0.381  0.822  0.684  1.0
  O  O9  1  0.812  0.083  0.680  1.0
[/CIF]
.