The material described by MoO2 is Rutile 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 are 49°. 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 distorted trigonal planar 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   3.171
_cell_length_b   4.786
_cell_length_c   4.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.662
_symmetry_Int_Tables_number   1
_cell_volume   73.276
_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  0.500  1.000  1.000  1.0
  Mo  Mo1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.503  0.710  0.695  1.0
  O  O3  1  0.003  0.210  0.805  1.0
  O  O4  1  0.997  0.790  0.195  1.0
  O  O5  1  0.497  0.290  0.305  1.0
[/CIF]
.
The material described by MoO2 is Rutile 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 are 49°. 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 distorted trigonal planar 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   3.171
_cell_length_b   4.786
_cell_length_c   4.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.662
_symmetry_Int_Tables_number   1
_cell_volume   73.276
_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  0.500  1.000  1.000  1.0
  Mo  Mo1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.503  0.710  0.695  1.0
  O  O3  1  0.003  0.210  0.805  1.0
  O  O4  1  0.997  0.790  0.195  1.0
  O  O5  1  0.497  0.290  0.305  1.0
[/CIF]
.