The compound described by MgWMoO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. There are six 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 T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_MgMoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.617
_cell_length_c   7.682
_cell_angle_alpha   95.821
_cell_angle_beta   137.152
_cell_angle_gamma   55.410
_symmetry_Int_Tables_number   1
_cell_volume   112.254
_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  0.002  0.542  0.709  1.0
  Mo  Mo1  1  0.000  0.960  0.501  1.0
  W  W2  1  0.001  0.954  0.004  1.0
  O  O3  1  0.737  0.079  0.118  1.0
  O  O4  1  0.181  0.840  0.854  1.0
  O  O5  1  0.401  0.436  0.675  1.0
  O  O6  1  0.422  0.016  0.276  1.0
  O  O7  1  0.647  0.816  0.763  1.0
  O  O8  1  0.616  0.463  0.379  1.0
[/CIF]
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The compound described by MgWMoO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. There are six 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 T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_MgMoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.617
_cell_length_c   7.682
_cell_angle_alpha   95.821
_cell_angle_beta   137.152
_cell_angle_gamma   55.410
_symmetry_Int_Tables_number   1
_cell_volume   112.254
_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  0.002  0.542  0.709  1.0
  Mo  Mo1  1  0.000  0.960  0.501  1.0
  W  W2  1  0.001  0.954  0.004  1.0
  O  O3  1  0.737  0.079  0.118  1.0
  O  O4  1  0.181  0.840  0.854  1.0
  O  O5  1  0.401  0.436  0.675  1.0
  O  O6  1  0.422  0.016  0.276  1.0
  O  O7  1  0.647  0.816  0.763  1.0
  O  O8  1  0.616  0.463  0.379  1.0
[/CIF]
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