The material described by CrOOH crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. H(1) is bonded in a distorted 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 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 CIF card [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   9.800
_cell_length_c   2.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   129.927
_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  0.546  0.639  0.250  1.0
  Cr  Cr1  1  0.954  0.139  0.250  1.0
  Cr  Cr2  1  0.454  0.361  0.750  1.0
  Cr  Cr3  1  0.046  0.861  0.750  1.0
  H  H4  1  0.917  0.405  0.250  1.0
  H  H5  1  0.583  0.905  0.250  1.0
  H  H6  1  0.083  0.595  0.750  1.0
  H  H7  1  0.417  0.095  0.750  1.0
  O  O8  1  0.194  0.306  0.250  1.0
  O  O9  1  0.306  0.806  0.250  1.0
  O  O10  1  0.806  0.694  0.750  1.0
  O  O11  1  0.694  0.194  0.750  1.0
  O  O12  1  0.705  0.443  0.250  1.0
  O  O13  1  0.795  0.943  0.250  1.0
  O  O14  1  0.295  0.557  0.750  1.0
  O  O15  1  0.205  0.057  0.750  1.0
[/CIF]
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The material described by CrOOH crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. H(1) is bonded in a distorted 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 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 CIF card [CIF]
data_CrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.439
_cell_length_b   9.800
_cell_length_c   2.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   129.927
_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  0.546  0.639  0.250  1.0
  Cr  Cr1  1  0.954  0.139  0.250  1.0
  Cr  Cr2  1  0.454  0.361  0.750  1.0
  Cr  Cr3  1  0.046  0.861  0.750  1.0
  H  H4  1  0.917  0.405  0.250  1.0
  H  H5  1  0.583  0.905  0.250  1.0
  H  H6  1  0.083  0.595  0.750  1.0
  H  H7  1  0.417  0.095  0.750  1.0
  O  O8  1  0.194  0.306  0.250  1.0
  O  O9  1  0.306  0.806  0.250  1.0
  O  O10  1  0.806  0.694  0.750  1.0
  O  O11  1  0.694  0.194  0.750  1.0
  O  O12  1  0.705  0.443  0.250  1.0
  O  O13  1  0.795  0.943  0.250  1.0
  O  O14  1  0.295  0.557  0.750  1.0
  O  O15  1  0.205  0.057  0.750  1.0
[/CIF]
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