The structure described by Mg2WCuO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. W(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one W(1), and one Cu(1) atom to form corner-sharing OMg2CuW trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one W(1) atom. is represented by the CIF card [CIF]
data_Mg2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.001
_cell_length_c   9.811
_cell_angle_alpha   60.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.736
_cell_formula_units_Z   2
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  0.052  0.294  0.732  1.0
  Mg  Mg1  1  0.552  0.706  0.768  1.0
  Mg  Mg2  1  0.948  0.706  0.268  1.0
  Mg  Mg3  1  0.448  0.294  0.232  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.290  0.701  0.609  1.0
  O  O9  1  0.790  0.299  0.891  1.0
  O  O10  1  0.710  0.299  0.391  1.0
  O  O11  1  0.210  0.701  0.109  1.0
  O  O12  1  0.201  0.361  0.448  1.0
  O  O13  1  0.701  0.639  0.052  1.0
  O  O14  1  0.799  0.639  0.552  1.0
  O  O15  1  0.299  0.361  0.948  1.0
  O  O16  1  0.393  0.038  0.803  1.0
  O  O17  1  0.893  0.962  0.697  1.0
  O  O18  1  0.107  0.038  0.303  1.0
  O  O19  1  0.607  0.962  0.197  1.0
[/CIF]
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The structure described by Mg2WCuO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. W(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one W(1), and one Cu(1) atom to form corner-sharing OMg2CuW trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one W(1) atom. is represented by the CIF card [CIF]
data_Mg2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.176
_cell_length_b   5.001
_cell_length_c   9.811
_cell_angle_alpha   60.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.736
_cell_formula_units_Z   2
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  0.052  0.294  0.732  1.0
  Mg  Mg1  1  0.552  0.706  0.768  1.0
  Mg  Mg2  1  0.948  0.706  0.268  1.0
  Mg  Mg3  1  0.448  0.294  0.232  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.290  0.701  0.609  1.0
  O  O9  1  0.790  0.299  0.891  1.0
  O  O10  1  0.710  0.299  0.391  1.0
  O  O11  1  0.210  0.701  0.109  1.0
  O  O12  1  0.201  0.361  0.448  1.0
  O  O13  1  0.701  0.639  0.052  1.0
  O  O14  1  0.799  0.639  0.552  1.0
  O  O15  1  0.299  0.361  0.948  1.0
  O  O16  1  0.393  0.038  0.803  1.0
  O  O17  1  0.893  0.962  0.697  1.0
  O  O18  1  0.107  0.038  0.303  1.0
  O  O19  1  0.607  0.962  0.197  1.0
[/CIF]
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