The structure described by MoO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   5.541
_cell_length_c   5.577
_cell_angle_alpha   119.017
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.559
_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  0.992  0.983  0.213  1.0
  Mo  Mo1  1  0.508  0.483  0.713  1.0
  Mo  Mo2  1  0.008  0.017  0.787  1.0
  Mo  Mo3  1  0.492  0.517  0.287  1.0
  O  O4  1  0.281  0.266  0.378  1.0
  O  O5  1  0.219  0.766  0.878  1.0
  O  O6  1  0.781  0.234  0.122  1.0
  O  O7  1  0.719  0.734  0.622  1.0
  O  O8  1  0.802  0.201  0.592  1.0
  O  O9  1  0.698  0.701  0.092  1.0
  O  O10  1  0.302  0.299  0.908  1.0
  O  O11  1  0.198  0.799  0.408  1.0
[/CIF]
.
The structure described by MoO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   5.541
_cell_length_c   5.577
_cell_angle_alpha   119.017
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.559
_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  0.992  0.983  0.213  1.0
  Mo  Mo1  1  0.508  0.483  0.713  1.0
  Mo  Mo2  1  0.008  0.017  0.787  1.0
  Mo  Mo3  1  0.492  0.517  0.287  1.0
  O  O4  1  0.281  0.266  0.378  1.0
  O  O5  1  0.219  0.766  0.878  1.0
  O  O6  1  0.781  0.234  0.122  1.0
  O  O7  1  0.719  0.734  0.622  1.0
  O  O8  1  0.802  0.201  0.592  1.0
  O  O9  1  0.698  0.701  0.092  1.0
  O  O10  1  0.302  0.299  0.908  1.0
  O  O11  1  0.198  0.799  0.408  1.0
[/CIF]
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