The material described by CrOOH crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CrO6 octahedra. 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 a mixture of distorted edge and corner-sharing OCr3H tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one H(1) atom. is represented by the CIF card [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.999
_cell_length_b   3.001
_cell_length_c   4.786
_cell_angle_alpha   108.247
_cell_angle_beta   90.001
_cell_angle_gamma   119.984
_symmetry_Int_Tables_number   1
_cell_volume   34.791
_cell_formula_units_Z   1
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  1.000  1.000  0.000  1.0
  H  H1  1  0.500  1.000  0.500  1.0
  O  O2  1  0.593  0.186  0.778  1.0
  O  O3  1  0.407  0.814  0.222  1.0
[/CIF]
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The material described by CrOOH crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CrO6 octahedra. 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 a mixture of distorted edge and corner-sharing OCr3H tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one H(1) atom. is represented by the CIF card [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.999
_cell_length_b   3.001
_cell_length_c   4.786
_cell_angle_alpha   108.247
_cell_angle_beta   90.001
_cell_angle_gamma   119.984
_symmetry_Int_Tables_number   1
_cell_volume   34.791
_cell_formula_units_Z   1
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  1.000  1.000  0.000  1.0
  H  H1  1  0.500  1.000  0.500  1.0
  O  O2  1  0.593  0.186  0.778  1.0
  O  O3  1  0.407  0.814  0.222  1.0
[/CIF]
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