The material described by MoO5 crystallizes in the monoclinic Pm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Mo site, Mo(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mo(1) and one O(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(2) and one O(7) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a water-like geometry to two equivalent O(4) atoms. In the eighth O site, O(8) is bonded in a water-like geometry to two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.067
_cell_length_b   3.947
_cell_length_c   7.753
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.633
_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
  Mo  Mo0  1  0.000  0.868  0.275  1.0
  Mo  Mo1  1  0.000  0.992  0.775  1.0
  O  O2  1  0.000  0.423  0.301  1.0
  O  O3  1  0.000  0.443  0.795  1.0
  O  O4  1  0.320  0.942  0.273  1.0
  O  O5  1  0.680  0.942  0.273  1.0
  O  O6  1  0.680  0.975  0.805  1.0
  O  O7  1  0.320  0.975  0.805  1.0
  O  O8  1  0.000  0.940  0.045  1.0
  O  O9  1  0.000  0.921  0.545  1.0
  O  O10  1  0.500  0.781  0.746  1.0
  O  O11  1  0.500  0.800  0.363  1.0
[/CIF]
.
The material described by MoO5 crystallizes in the monoclinic Pm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Mo site, Mo(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mo(1) and one O(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(2) and one O(7) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a water-like geometry to two equivalent O(4) atoms. In the eighth O site, O(8) is bonded in a water-like geometry to two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.067
_cell_length_b   3.947
_cell_length_c   7.753
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.633
_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
  Mo  Mo0  1  0.000  0.868  0.275  1.0
  Mo  Mo1  1  0.000  0.992  0.775  1.0
  O  O2  1  0.000  0.423  0.301  1.0
  O  O3  1  0.000  0.443  0.795  1.0
  O  O4  1  0.320  0.942  0.273  1.0
  O  O5  1  0.680  0.942  0.273  1.0
  O  O6  1  0.680  0.975  0.805  1.0
  O  O7  1  0.320  0.975  0.805  1.0
  O  O8  1  0.000  0.940  0.045  1.0
  O  O9  1  0.000  0.921  0.545  1.0
  O  O10  1  0.500  0.781  0.746  1.0
  O  O11  1  0.500  0.800  0.363  1.0
[/CIF]
.