The structure described by Mg2WMoO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Mo(1) atom to form distorted corner-sharing OMg2MoW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.428
_cell_length_c   7.787
_cell_angle_alpha   90.000
_cell_angle_beta   89.872
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.846
_cell_formula_units_Z   2
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  0.009  0.037  0.252  1.0
  Mg  Mg1  1  0.491  0.537  0.248  1.0
  Mg  Mg2  1  0.991  0.963  0.748  1.0
  Mg  Mg3  1  0.509  0.463  0.752  1.0
  Mo  Mo4  1  0.500  0.000  0.000  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.658  0.317  0.427  1.0
  O  O9  1  0.842  0.817  0.073  1.0
  O  O10  1  0.342  0.683  0.573  1.0
  O  O11  1  0.158  0.183  0.927  1.0
  O  O12  1  0.181  0.162  0.566  1.0
  O  O13  1  0.319  0.662  0.934  1.0
  O  O14  1  0.819  0.838  0.434  1.0
  O  O15  1  0.681  0.338  0.066  1.0
  O  O16  1  0.129  0.406  0.241  1.0
  O  O17  1  0.371  0.906  0.259  1.0
  O  O18  1  0.629  0.094  0.741  1.0
  O  O19  1  0.871  0.594  0.759  1.0
[/CIF]
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The structure described by Mg2WMoO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Mo(1) atom to form distorted corner-sharing OMg2MoW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.428
_cell_length_c   7.787
_cell_angle_alpha   90.000
_cell_angle_beta   89.872
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.846
_cell_formula_units_Z   2
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  0.009  0.037  0.252  1.0
  Mg  Mg1  1  0.491  0.537  0.248  1.0
  Mg  Mg2  1  0.991  0.963  0.748  1.0
  Mg  Mg3  1  0.509  0.463  0.752  1.0
  Mo  Mo4  1  0.500  0.000  0.000  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.500  0.000  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.658  0.317  0.427  1.0
  O  O9  1  0.842  0.817  0.073  1.0
  O  O10  1  0.342  0.683  0.573  1.0
  O  O11  1  0.158  0.183  0.927  1.0
  O  O12  1  0.181  0.162  0.566  1.0
  O  O13  1  0.319  0.662  0.934  1.0
  O  O14  1  0.819  0.838  0.434  1.0
  O  O15  1  0.681  0.338  0.066  1.0
  O  O16  1  0.129  0.406  0.241  1.0
  O  O17  1  0.371  0.906  0.259  1.0
  O  O18  1  0.629  0.094  0.741  1.0
  O  O19  1  0.871  0.594  0.759  1.0
[/CIF]
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