The material described by Ba2Mg(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(8) 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(1), one O(6), one O(7), and one O(8) atom. 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 4-8°. 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 4-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(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 distorted corner-sharing OBa3W trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Mg(1), and one W(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Mg(1), and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mg(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   5.908
_cell_length_c   9.491
_cell_angle_alpha   91.087
_cell_angle_beta   102.985
_cell_angle_gamma   89.565
_symmetry_Int_Tables_number   1
_cell_volume   218.818
_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  0.096  0.494  0.203  1.0
  Ba  Ba1  1  0.790  0.975  0.565  1.0
  Mg  Mg2  1  0.469  0.992  0.866  1.0
  W  W3  1  0.399  0.490  0.854  1.0
  W  W4  1  0.582  0.992  0.184  1.0
  O  O5  1  0.502  0.752  0.013  1.0
  O  O6  1  0.682  0.223  0.326  1.0
  O  O7  1  0.080  0.985  0.166  1.0
  O  O8  1  0.929  0.495  0.869  1.0
  O  O9  1  0.654  0.748  0.324  1.0
  O  O10  1  0.370  0.229  0.717  1.0
  O  O11  1  0.362  0.747  0.717  1.0
  O  O12  1  0.501  0.241  0.013  1.0
[/CIF]
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The material described by Ba2Mg(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(8) 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(1), one O(6), one O(7), and one O(8) atom. 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 4-8°. 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 4-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), two equivalent Ba(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(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 distorted corner-sharing OBa3W trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Mg(1), and one W(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Mg(1), and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mg(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.005
_cell_length_b   5.908
_cell_length_c   9.491
_cell_angle_alpha   91.087
_cell_angle_beta   102.985
_cell_angle_gamma   89.565
_symmetry_Int_Tables_number   1
_cell_volume   218.818
_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  0.096  0.494  0.203  1.0
  Ba  Ba1  1  0.790  0.975  0.565  1.0
  Mg  Mg2  1  0.469  0.992  0.866  1.0
  W  W3  1  0.399  0.490  0.854  1.0
  W  W4  1  0.582  0.992  0.184  1.0
  O  O5  1  0.502  0.752  0.013  1.0
  O  O6  1  0.682  0.223  0.326  1.0
  O  O7  1  0.080  0.985  0.166  1.0
  O  O8  1  0.929  0.495  0.869  1.0
  O  O9  1  0.654  0.748  0.324  1.0
  O  O10  1  0.370  0.229  0.717  1.0
  O  O11  1  0.362  0.747  0.717  1.0
  O  O12  1  0.501  0.241  0.013  1.0
[/CIF]
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