The compound described by Ba3MgWO6 is Krennerite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(1), one O(4), and two equivalent O(2) atoms. W(1) is bonded in a distorted octahedral geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mg(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mg(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba3MgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.451
_cell_length_c   7.451
_cell_angle_alpha   48.940
_cell_angle_beta   48.999
_cell_angle_gamma   48.995
_symmetry_Int_Tables_number   1
_cell_volume   213.676
_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  0.288  0.311  0.310  1.0
  Ba  Ba1  1  0.499  0.508  0.508  1.0
  Ba  Ba2  1  0.691  0.718  0.718  1.0
  Mg  Mg3  1  0.118  0.124  0.124  1.0
  W  W4  1  0.984  0.988  0.988  1.0
  O  O5  1  0.256  0.777  0.777  1.0
  O  O6  1  0.220  0.763  0.206  1.0
  O  O7  1  0.799  0.263  0.764  1.0
  O  O8  1  0.220  0.206  0.763  1.0
  O  O9  1  0.753  0.215  0.215  1.0
  O  O10  1  0.799  0.764  0.263  1.0
[/CIF]
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The compound described by Ba3MgWO6 is Krennerite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(1), one O(4), and two equivalent O(2) atoms. W(1) is bonded in a distorted octahedral geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mg(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mg(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba3MgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.451
_cell_length_c   7.451
_cell_angle_alpha   48.940
_cell_angle_beta   48.999
_cell_angle_gamma   48.995
_symmetry_Int_Tables_number   1
_cell_volume   213.676
_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  0.288  0.311  0.310  1.0
  Ba  Ba1  1  0.499  0.508  0.508  1.0
  Ba  Ba2  1  0.691  0.718  0.718  1.0
  Mg  Mg3  1  0.118  0.124  0.124  1.0
  W  W4  1  0.984  0.988  0.988  1.0
  O  O5  1  0.256  0.777  0.777  1.0
  O  O6  1  0.220  0.763  0.206  1.0
  O  O7  1  0.799  0.263  0.764  1.0
  O  O8  1  0.220  0.206  0.763  1.0
  O  O9  1  0.753  0.215  0.215  1.0
  O  O10  1  0.799  0.764  0.263  1.0
[/CIF]
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