The structure described by Ba2MgWMnO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one W(1), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. W(1) is bonded in a trigonal planar geometry to one Ba(2), one O(2), one O(5), and one O(6) atom. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), 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 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MgMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.194
_cell_length_c   6.950
_cell_angle_alpha   63.775
_cell_angle_beta   63.293
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   197.903
_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  0.183  0.183  0.452  1.0
  Ba  Ba1  1  0.765  0.775  0.690  1.0
  Mg  Mg2  1  0.404  0.407  0.784  1.0
  Mn  Mn3  1  0.001  0.005  0.989  1.0
  W  W4  1  0.574  0.572  0.280  1.0
  O  O5  1  0.232  0.761  0.777  1.0
  O  O6  1  0.231  0.741  0.287  1.0
  O  O7  1  0.759  0.231  0.778  1.0
  O  O8  1  0.233  0.229  0.778  1.0
  O  O9  1  0.743  0.229  0.285  1.0
  O  O10  1  0.742  0.742  0.286  1.0
[/CIF]
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The structure described by Ba2MgWMnO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one W(1), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. W(1) is bonded in a trigonal planar geometry to one Ba(2), one O(2), one O(5), and one O(6) atom. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), 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 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MgMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.194
_cell_length_c   6.950
_cell_angle_alpha   63.775
_cell_angle_beta   63.293
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   197.903
_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  0.183  0.183  0.452  1.0
  Ba  Ba1  1  0.765  0.775  0.690  1.0
  Mg  Mg2  1  0.404  0.407  0.784  1.0
  Mn  Mn3  1  0.001  0.005  0.989  1.0
  W  W4  1  0.574  0.572  0.280  1.0
  O  O5  1  0.232  0.761  0.777  1.0
  O  O6  1  0.231  0.741  0.287  1.0
  O  O7  1  0.759  0.231  0.778  1.0
  O  O8  1  0.233  0.229  0.778  1.0
  O  O9  1  0.743  0.229  0.285  1.0
  O  O10  1  0.742  0.742  0.286  1.0
[/CIF]
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