The structure described by MoO2 crystallizes in the orthorhombic Cmcm space group. Mo(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   10.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   144.794
_symmetry_Int_Tables_number   1
_cell_volume   168.431
_cell_formula_units_Z   4
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  0.133  0.867  0.075  1.0
  Mo  Mo1  1  0.867  0.133  0.925  1.0
  Mo  Mo2  1  0.133  0.867  0.425  1.0
  Mo  Mo3  1  0.867  0.133  0.575  1.0
  O  O4  1  0.760  0.240  0.402  1.0
  O  O5  1  0.240  0.760  0.598  1.0
  O  O6  1  0.240  0.760  0.902  1.0
  O  O7  1  0.760  0.240  0.098  1.0
  O  O8  1  0.080  0.920  0.250  1.0
  O  O9  1  0.920  0.080  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by MoO2 crystallizes in the orthorhombic Cmcm space group. Mo(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   10.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   144.794
_symmetry_Int_Tables_number   1
_cell_volume   168.431
_cell_formula_units_Z   4
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  0.133  0.867  0.075  1.0
  Mo  Mo1  1  0.867  0.133  0.925  1.0
  Mo  Mo2  1  0.133  0.867  0.425  1.0
  Mo  Mo3  1  0.867  0.133  0.575  1.0
  O  O4  1  0.760  0.240  0.402  1.0
  O  O5  1  0.240  0.760  0.598  1.0
  O  O6  1  0.240  0.760  0.902  1.0
  O  O7  1  0.760  0.240  0.098  1.0
  O  O8  1  0.080  0.920  0.250  1.0
  O  O9  1  0.920  0.080  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
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