The material described by WMoO6 crystallizes in the monoclinic Cm space group. W(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form distorted WO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Mo(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.905
_cell_length_c   7.396
_cell_angle_alpha   89.994
_cell_angle_beta   90.006
_cell_angle_gamma   90.513
_symmetry_Int_Tables_number   1
_cell_volume   112.774
_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
  Mo  Mo0  1  0.925  0.075  0.743  1.0
  W  W1  1  0.065  0.935  0.243  1.0
  O  O2  1  0.025  0.480  0.241  1.0
  O  O3  1  0.520  0.975  0.241  1.0
  O  O4  1  0.975  0.514  0.741  1.0
  O  O5  1  0.486  0.025  0.741  1.0
  O  O6  1  0.003  0.997  0.493  1.0
  O  O7  1  0.002  0.998  0.990  1.0
[/CIF]
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The material described by WMoO6 crystallizes in the monoclinic Cm space group. W(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form distorted WO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Mo(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.905
_cell_length_b   3.905
_cell_length_c   7.396
_cell_angle_alpha   89.994
_cell_angle_beta   90.006
_cell_angle_gamma   90.513
_symmetry_Int_Tables_number   1
_cell_volume   112.774
_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
  Mo  Mo0  1  0.925  0.075  0.743  1.0
  W  W1  1  0.065  0.935  0.243  1.0
  O  O2  1  0.025  0.480  0.241  1.0
  O  O3  1  0.520  0.975  0.241  1.0
  O  O4  1  0.975  0.514  0.741  1.0
  O  O5  1  0.486  0.025  0.741  1.0
  O  O6  1  0.003  0.997  0.493  1.0
  O  O7  1  0.002  0.998  0.990  1.0
[/CIF]
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