The material structure described by Mg2WMoO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(2)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent W(1)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 44°. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MoO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mg(2), one W(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OMg2MoW trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one W(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Mg2MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   5.672
_cell_angle_alpha   55.469
_cell_angle_beta   55.469
_cell_angle_gamma   55.469
_symmetry_Int_Tables_number   1
_cell_volume   115.424
_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
  Mg  Mg0  1  0.772  0.772  0.772  1.0
  Mg  Mg1  1  0.272  0.272  0.272  1.0
  Mo  Mo2  1  0.479  0.479  0.479  1.0
  W  W3  1  0.977  0.977  0.977  1.0
  O  O4  1  0.879  0.594  0.180  1.0
  O  O5  1  0.075  0.362  0.704  1.0
  O  O6  1  0.704  0.075  0.362  1.0
  O  O7  1  0.362  0.704  0.075  1.0
  O  O8  1  0.594  0.180  0.879  1.0
  O  O9  1  0.180  0.879  0.594  1.0
[/CIF]
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The material structure described by Mg2WMoO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with six equivalent Mg(2)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent W(1)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Mg(2)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 44°. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MoO6 octahedra that share corners with three equivalent Mg(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mg(2), one W(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OMg2MoW trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mg(2), one W(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Mg2MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   5.672
_cell_angle_alpha   55.469
_cell_angle_beta   55.469
_cell_angle_gamma   55.469
_symmetry_Int_Tables_number   1
_cell_volume   115.424
_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
  Mg  Mg0  1  0.772  0.772  0.772  1.0
  Mg  Mg1  1  0.272  0.272  0.272  1.0
  Mo  Mo2  1  0.479  0.479  0.479  1.0
  W  W3  1  0.977  0.977  0.977  1.0
  O  O4  1  0.879  0.594  0.180  1.0
  O  O5  1  0.075  0.362  0.704  1.0
  O  O6  1  0.704  0.075  0.362  1.0
  O  O7  1  0.362  0.704  0.075  1.0
  O  O8  1  0.594  0.180  0.879  1.0
  O  O9  1  0.180  0.879  0.594  1.0
[/CIF]
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