The material structure described by W2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. In the second W site, W(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of distorted face and corner-sharing WO12 cuboctahedra. Mo(1) is bonded in a 5-coordinate geometry to four equivalent W(1), one O(2), and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(2) and two equivalent Mo(1) atoms to form OMo2W2 tetrahedra that share corners with four equivalent O(2)Mo2W4 octahedra, corners with ten equivalent O(1)Mo2W2 tetrahedra, edges with five equivalent O(1)Mo2W2 tetrahedra, and faces with two equivalent O(2)Mo2W4 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second O site, O(2) is bonded to four equivalent W(2) and two equivalent Mo(1) atoms to form OMo2W4 octahedra that share corners with four equivalent O(2)Mo2W4 octahedra, corners with sixteen equivalent O(1)Mo2W2 tetrahedra, edges with four equivalent O(2)Mo2W4 octahedra, and faces with eight equivalent O(1)Mo2W2 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2W2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.688
_cell_length_b   3.688
_cell_length_c   8.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.924
_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  0.000  0.000  0.219  1.0
  Mo  Mo1  1  0.000  0.000  0.781  1.0
  W  W2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.500  0.328  1.0
  O  O5  1  0.000  0.500  0.672  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.000  0.328  1.0
  O  O8  1  0.500  0.000  0.672  1.0
[/CIF]
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The material structure described by W2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. In the second W site, W(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of distorted face and corner-sharing WO12 cuboctahedra. Mo(1) is bonded in a 5-coordinate geometry to four equivalent W(1), one O(2), and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(2) and two equivalent Mo(1) atoms to form OMo2W2 tetrahedra that share corners with four equivalent O(2)Mo2W4 octahedra, corners with ten equivalent O(1)Mo2W2 tetrahedra, edges with five equivalent O(1)Mo2W2 tetrahedra, and faces with two equivalent O(2)Mo2W4 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second O site, O(2) is bonded to four equivalent W(2) and two equivalent Mo(1) atoms to form OMo2W4 octahedra that share corners with four equivalent O(2)Mo2W4 octahedra, corners with sixteen equivalent O(1)Mo2W2 tetrahedra, edges with four equivalent O(2)Mo2W4 octahedra, and faces with eight equivalent O(1)Mo2W2 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2W2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.688
_cell_length_b   3.688
_cell_length_c   8.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.924
_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  0.000  0.000  0.219  1.0
  Mo  Mo1  1  0.000  0.000  0.781  1.0
  W  W2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.500  0.328  1.0
  O  O5  1  0.000  0.500  0.672  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.000  0.328  1.0
  O  O8  1  0.500  0.000  0.672  1.0
[/CIF]
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