The crystal structure described by CrO2 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   4.974
_cell_length_c   9.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.841
_symmetry_Int_Tables_number   1
_cell_volume   135.681
_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  0.134  0.866  0.073  1.0
  Cr  Cr1  1  0.866  0.134  0.927  1.0
  Cr  Cr2  1  0.134  0.866  0.427  1.0
  Cr  Cr3  1  0.866  0.134  0.573  1.0
  O  O4  1  0.761  0.239  0.399  1.0
  O  O5  1  0.239  0.761  0.601  1.0
  O  O6  1  0.239  0.761  0.899  1.0
  O  O7  1  0.761  0.239  0.101  1.0
  O  O8  1  0.075  0.925  0.250  1.0
  O  O9  1  0.925  0.075  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]
.
The crystal structure described by CrO2 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.974
_cell_length_b   4.974
_cell_length_c   9.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.841
_symmetry_Int_Tables_number   1
_cell_volume   135.681
_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  0.134  0.866  0.073  1.0
  Cr  Cr1  1  0.866  0.134  0.927  1.0
  Cr  Cr2  1  0.134  0.866  0.427  1.0
  Cr  Cr3  1  0.866  0.134  0.573  1.0
  O  O4  1  0.761  0.239  0.399  1.0
  O  O5  1  0.239  0.761  0.601  1.0
  O  O6  1  0.239  0.761  0.899  1.0
  O  O7  1  0.761  0.239  0.101  1.0
  O  O8  1  0.075  0.925  0.250  1.0
  O  O9  1  0.925  0.075  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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