The crystal structure described by CrO2 is Rutile structured and crystallizes in the orthorhombic Pnnm space group. Cr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. O(1) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   4.448
_cell_length_c   4.529
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   60.156
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.793  0.190  1.0
  O  O3  1  0.500  0.207  0.810  1.0
  O  O4  1  1.000  0.707  0.690  1.0
  O  O5  1  0.000  0.293  0.310  1.0
[/CIF]
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The crystal structure described by CrO2 is Rutile structured and crystallizes in the orthorhombic Pnnm space group. Cr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. O(1) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   4.448
_cell_length_c   4.529
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   60.156
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.793  0.190  1.0
  O  O3  1  0.500  0.207  0.810  1.0
  O  O4  1  1.000  0.707  0.690  1.0
  O  O5  1  0.000  0.293  0.310  1.0
[/CIF]
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