The compound described by Ba2MgWMnO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), 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 Ba(1), 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. Mn(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 Ba(1), one Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2MgMnW trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2MgMnW trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2MgMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   6.536
_cell_length_c   5.946
_cell_angle_alpha   63.553
_cell_angle_beta   63.069
_cell_angle_gamma   52.691
_symmetry_Int_Tables_number   1
_cell_volume   175.365
_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  0.190  0.189  0.313  1.0
  Ba  Ba1  1  0.810  0.811  0.687  1.0
  Mg  Mg2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  1.000  0.000  1.000  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.261  0.741  0.761  1.0
  O  O6  1  0.256  0.744  0.238  1.0
  O  O7  1  0.744  0.256  0.762  1.0
  O  O8  1  0.294  0.296  0.704  1.0
  O  O9  1  0.739  0.259  0.239  1.0
  O  O10  1  0.706  0.704  0.296  1.0
[/CIF]
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The compound described by Ba2MgWMnO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), 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 Ba(1), 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. Mn(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 Ba(1), one Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2MgMnW trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2MgMnW trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2MgMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   6.536
_cell_length_c   5.946
_cell_angle_alpha   63.553
_cell_angle_beta   63.069
_cell_angle_gamma   52.691
_symmetry_Int_Tables_number   1
_cell_volume   175.365
_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  0.190  0.189  0.313  1.0
  Ba  Ba1  1  0.810  0.811  0.687  1.0
  Mg  Mg2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  1.000  0.000  1.000  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.261  0.741  0.761  1.0
  O  O6  1  0.256  0.744  0.238  1.0
  O  O7  1  0.744  0.256  0.762  1.0
  O  O8  1  0.294  0.296  0.704  1.0
  O  O9  1  0.739  0.259  0.239  1.0
  O  O10  1  0.706  0.704  0.296  1.0
[/CIF]
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