The material described by Ba3MgWO6 crystallizes in the trigonal R3m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. W(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mg(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3MgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.183
_cell_length_b   7.183
_cell_length_c   7.183
_cell_angle_alpha   50.996
_cell_angle_beta   50.996
_cell_angle_gamma   50.996
_symmetry_Int_Tables_number   1
_cell_volume   206.440
_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  0.281  0.281  0.281  1.0
  Ba  Ba1  1  0.473  0.473  0.473  1.0
  Ba  Ba2  1  0.817  0.817  0.817  1.0
  Mg  Mg3  1  0.636  0.636  0.636  1.0
  W  W4  1  0.996  0.996  0.996  1.0
  O  O5  1  0.244  0.763  0.763  1.0
  O  O6  1  0.206  0.739  0.206  1.0
  O  O7  1  0.763  0.244  0.763  1.0
  O  O8  1  0.206  0.206  0.739  1.0
  O  O9  1  0.739  0.206  0.206  1.0
  O  O10  1  0.763  0.763  0.244  1.0
[/CIF]
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The material described by Ba3MgWO6 crystallizes in the trigonal R3m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. W(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mg(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3MgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.183
_cell_length_b   7.183
_cell_length_c   7.183
_cell_angle_alpha   50.996
_cell_angle_beta   50.996
_cell_angle_gamma   50.996
_symmetry_Int_Tables_number   1
_cell_volume   206.440
_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  0.281  0.281  0.281  1.0
  Ba  Ba1  1  0.473  0.473  0.473  1.0
  Ba  Ba2  1  0.817  0.817  0.817  1.0
  Mg  Mg3  1  0.636  0.636  0.636  1.0
  W  W4  1  0.996  0.996  0.996  1.0
  O  O5  1  0.244  0.763  0.763  1.0
  O  O6  1  0.206  0.739  0.206  1.0
  O  O7  1  0.763  0.244  0.763  1.0
  O  O8  1  0.206  0.206  0.739  1.0
  O  O9  1  0.739  0.206  0.206  1.0
  O  O10  1  0.763  0.763  0.244  1.0
[/CIF]
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