The material structure described by CoOOH is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one H(2) atom. In the fourth O site, O(4) is bonded to one Co(2), two equivalent Co(1), and one H(1) atom to form distorted edge-sharing OCo3H tetrahedra. is represented by the CIF file [CIF]
data_CoHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.860
_cell_length_b   5.231
_cell_length_c   6.046
_cell_angle_alpha   93.511
_cell_angle_beta   85.447
_cell_angle_gamma   111.515
_symmetry_Int_Tables_number   1
_cell_volume   142.453
_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
  Co  Co0  1  0.002  0.497  0.750  1.0
  Co  Co1  1  0.998  0.991  0.497  1.0
  Co  Co2  1  0.002  0.508  0.253  1.0
  Co  Co3  1  0.998  0.004  0.000  1.0
  H  H4  1  0.456  0.986  0.755  1.0
  H  H5  1  0.539  0.009  0.243  1.0
  H  H6  1  0.460  0.490  0.507  1.0
  H  H7  1  0.545  0.515  0.995  1.0
  O  O8  1  0.224  0.901  0.756  1.0
  O  O9  1  0.221  0.918  0.251  1.0
  O  O10  1  0.227  0.413  0.504  1.0
  O  O11  1  0.213  0.398  0.008  1.0
  O  O12  1  0.787  0.102  0.742  1.0
  O  O13  1  0.772  0.087  0.246  1.0
  O  O14  1  0.779  0.582  0.499  1.0
  O  O15  1  0.777  0.599  0.994  1.0
[/CIF]
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The material structure described by CoOOH is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one H(2) atom. In the fourth O site, O(4) is bonded to one Co(2), two equivalent Co(1), and one H(1) atom to form distorted edge-sharing OCo3H tetrahedra. is represented by the CIF file [CIF]
data_CoHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.860
_cell_length_b   5.231
_cell_length_c   6.046
_cell_angle_alpha   93.511
_cell_angle_beta   85.447
_cell_angle_gamma   111.515
_symmetry_Int_Tables_number   1
_cell_volume   142.453
_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
  Co  Co0  1  0.002  0.497  0.750  1.0
  Co  Co1  1  0.998  0.991  0.497  1.0
  Co  Co2  1  0.002  0.508  0.253  1.0
  Co  Co3  1  0.998  0.004  0.000  1.0
  H  H4  1  0.456  0.986  0.755  1.0
  H  H5  1  0.539  0.009  0.243  1.0
  H  H6  1  0.460  0.490  0.507  1.0
  H  H7  1  0.545  0.515  0.995  1.0
  O  O8  1  0.224  0.901  0.756  1.0
  O  O9  1  0.221  0.918  0.251  1.0
  O  O10  1  0.227  0.413  0.504  1.0
  O  O11  1  0.213  0.398  0.008  1.0
  O  O12  1  0.787  0.102  0.742  1.0
  O  O13  1  0.772  0.087  0.246  1.0
  O  O14  1  0.779  0.582  0.499  1.0
  O  O15  1  0.777  0.599  0.994  1.0
[/CIF]
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