The material described by Ba2MgWCuO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) 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 in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one W(1), and one Cu(1) atom to form OBa2MgCuW trigonal bipyramids that share corners with three equivalent O(2)Ba2MgCuW trigonal bipyramids, corners with six equivalent O(3)Ba4W trigonal bipyramids,  an edgeedge with one O(2)Ba2MgCuW trigonal bipyramid, and edges with two equivalent O(3)Ba4W trigonal bipyramids. In the third O site, O(3) is bonded to four equivalent Ba(1) and one W(1) atom to form distorted OBa4W trigonal bipyramids that share corners with five equivalent O(3)Ba4W trigonal bipyramids, corners with six equivalent O(2)Ba2MgCuW trigonal bipyramids, edges with two equivalent O(2)Ba2MgCuW trigonal bipyramids, and edges with four equivalent O(3)Ba4W trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2MgCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.886
_cell_length_c   6.672
_cell_angle_alpha   112.714
_cell_angle_beta   112.623
_cell_angle_gamma   97.178
_symmetry_Int_Tables_number   1
_cell_volume   185.865
_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
  Ba  Ba0  1  0.178  0.678  0.355  1.0
  Ba  Ba1  1  0.822  0.322  0.645  1.0
  Mg  Mg2  1  0.500  1.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.738  0.784  0.000  1.0
  O  O6  1  0.258  0.722  0.000  1.0
  O  O7  1  0.742  0.278  0.000  1.0
  O  O8  1  0.262  0.216  0.000  1.0
  O  O9  1  0.319  0.319  0.638  1.0
  O  O10  1  0.681  0.681  0.362  1.0
[/CIF]
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The material described by Ba2MgWCuO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) 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 in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one W(1), and one Cu(1) atom to form OBa2MgCuW trigonal bipyramids that share corners with three equivalent O(2)Ba2MgCuW trigonal bipyramids, corners with six equivalent O(3)Ba4W trigonal bipyramids,  an edgeedge with one O(2)Ba2MgCuW trigonal bipyramid, and edges with two equivalent O(3)Ba4W trigonal bipyramids. In the third O site, O(3) is bonded to four equivalent Ba(1) and one W(1) atom to form distorted OBa4W trigonal bipyramids that share corners with five equivalent O(3)Ba4W trigonal bipyramids, corners with six equivalent O(2)Ba2MgCuW trigonal bipyramids, edges with two equivalent O(2)Ba2MgCuW trigonal bipyramids, and edges with four equivalent O(3)Ba4W trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2MgCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.886
_cell_length_c   6.672
_cell_angle_alpha   112.714
_cell_angle_beta   112.623
_cell_angle_gamma   97.178
_symmetry_Int_Tables_number   1
_cell_volume   185.865
_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
  Ba  Ba0  1  0.178  0.678  0.355  1.0
  Ba  Ba1  1  0.822  0.322  0.645  1.0
  Mg  Mg2  1  0.500  1.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.738  0.784  0.000  1.0
  O  O6  1  0.258  0.722  0.000  1.0
  O  O7  1  0.742  0.278  0.000  1.0
  O  O8  1  0.262  0.216  0.000  1.0
  O  O9  1  0.319  0.319  0.638  1.0
  O  O10  1  0.681  0.681  0.362  1.0
[/CIF]
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