The material structure described by Ba2Mg(WO4)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(6), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(8) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to one Ba(2), two equivalent Ba(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the sixth O site, O(6) is bonded to one Ba(1), two equivalent Ba(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the seventh O site, O(7) is bonded to one Ba(1), two equivalent Ba(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   6.032
_cell_length_c   8.782
_cell_angle_alpha   92.528
_cell_angle_beta   103.522
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   211.389
_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  0.197  0.493  0.394  1.0
  Ba  Ba1  1  0.806  0.996  0.613  1.0
  Mg  Mg2  1  0.001  0.242  0.003  1.0
  W  W3  1  0.414  0.513  0.828  1.0
  W  W4  1  0.589  0.973  0.178  1.0
  O  O5  1  0.502  0.741  0.004  1.0
  O  O6  1  0.668  0.205  0.337  1.0
  O  O7  1  0.076  0.004  0.154  1.0
  O  O8  1  0.926  0.480  0.852  1.0
  O  O9  1  0.671  0.756  0.342  1.0
  O  O10  1  0.334  0.282  0.668  1.0
  O  O11  1  0.333  0.732  0.666  1.0
  O  O12  1  0.501  0.241  0.002  1.0
[/CIF]
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The material structure described by Ba2Mg(WO4)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(6), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(8) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to one Ba(2), two equivalent Ba(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the sixth O site, O(6) is bonded to one Ba(1), two equivalent Ba(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the seventh O site, O(7) is bonded to one Ba(1), two equivalent Ba(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   6.032
_cell_length_c   8.782
_cell_angle_alpha   92.528
_cell_angle_beta   103.522
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   211.389
_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  0.197  0.493  0.394  1.0
  Ba  Ba1  1  0.806  0.996  0.613  1.0
  Mg  Mg2  1  0.001  0.242  0.003  1.0
  W  W3  1  0.414  0.513  0.828  1.0
  W  W4  1  0.589  0.973  0.178  1.0
  O  O5  1  0.502  0.741  0.004  1.0
  O  O6  1  0.668  0.205  0.337  1.0
  O  O7  1  0.076  0.004  0.154  1.0
  O  O8  1  0.926  0.480  0.852  1.0
  O  O9  1  0.671  0.756  0.342  1.0
  O  O10  1  0.334  0.282  0.668  1.0
  O  O11  1  0.333  0.732  0.666  1.0
  O  O12  1  0.501  0.241  0.002  1.0
[/CIF]
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