The material described by CrOOH crystallizes in the orthorhombic Pmn2_1 space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one H(1) atom to form distorted corner-sharing OCr3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cr(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.979
_cell_length_b   4.313
_cell_length_c   4.865
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.504
_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  0.265  0.485  1.0
  Cr  Cr1  1  0.000  0.735  0.985  1.0
  H  H2  1  0.500  0.205  0.967  1.0
  H  H3  1  1.000  0.795  0.467  1.0
  O  O4  1  0.000  0.512  0.632  1.0
  O  O5  1  0.500  0.488  0.132  1.0
  O  O6  1  0.500  0.011  0.840  1.0
  O  O7  1  0.000  0.989  0.340  1.0
[/CIF]
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The material described by CrOOH crystallizes in the orthorhombic Pmn2_1 space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one H(1) atom to form distorted corner-sharing OCr3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cr(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.979
_cell_length_b   4.313
_cell_length_c   4.865
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.504
_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  0.265  0.485  1.0
  Cr  Cr1  1  0.000  0.735  0.985  1.0
  H  H2  1  0.500  0.205  0.967  1.0
  H  H3  1  1.000  0.795  0.467  1.0
  O  O4  1  0.000  0.512  0.632  1.0
  O  O5  1  0.500  0.488  0.132  1.0
  O  O6  1  0.500  0.011  0.840  1.0
  O  O7  1  0.000  0.989  0.340  1.0
[/CIF]
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