The material structure described by CrO2 is Hydrophilite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Cr site, Cr(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.999
_cell_length_b   7.147
_cell_length_c   7.149
_cell_angle_alpha   87.739
_cell_angle_beta   77.890
_cell_angle_gamma   77.899
_symmetry_Int_Tables_number   1
_cell_volume   146.474
_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
  Cr  Cr0  1  0.656  0.182  0.512  1.0
  Cr  Cr1  1  0.168  0.487  0.183  1.0
  Cr  Cr2  1  0.836  0.513  0.820  1.0
  Cr  Cr3  1  0.348  0.818  0.490  1.0
  O  O4  1  0.839  0.701  0.626  1.0
  O  O5  1  0.464  0.377  0.700  1.0
  O  O6  1  0.540  0.623  0.302  1.0
  O  O7  1  0.165  0.300  0.376  1.0
  O  O8  1  0.161  0.048  0.636  1.0
  O  O9  1  0.797  0.365  0.047  1.0
  O  O10  1  0.843  0.952  0.366  1.0
  O  O11  1  0.207  0.636  0.955  1.0
[/CIF]
.
The material structure described by CrO2 is Hydrophilite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Cr site, Cr(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.999
_cell_length_b   7.147
_cell_length_c   7.149
_cell_angle_alpha   87.739
_cell_angle_beta   77.890
_cell_angle_gamma   77.899
_symmetry_Int_Tables_number   1
_cell_volume   146.474
_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
  Cr  Cr0  1  0.656  0.182  0.512  1.0
  Cr  Cr1  1  0.168  0.487  0.183  1.0
  Cr  Cr2  1  0.836  0.513  0.820  1.0
  Cr  Cr3  1  0.348  0.818  0.490  1.0
  O  O4  1  0.839  0.701  0.626  1.0
  O  O5  1  0.464  0.377  0.700  1.0
  O  O6  1  0.540  0.623  0.302  1.0
  O  O7  1  0.165  0.300  0.376  1.0
  O  O8  1  0.161  0.048  0.636  1.0
  O  O9  1  0.797  0.365  0.047  1.0
  O  O10  1  0.843  0.952  0.366  1.0
  O  O11  1  0.207  0.636  0.955  1.0
[/CIF]
.