The material structure described by CoOOH(CO) crystallizes in the trigonal R-3 space group. Co(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 44°. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(3) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CoHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.371
_cell_length_b   7.371
_cell_length_c   7.371
_cell_angle_alpha   95.531
_cell_angle_beta   95.531
_cell_angle_gamma   95.531
_symmetry_Int_Tables_number   1
_cell_volume   394.535
_cell_formula_units_Z   6
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  0.477  0.214  0.565  1.0
  Co  Co1  1  0.523  0.786  0.435  1.0
  Co  Co2  1  0.565  0.477  0.214  1.0
  Co  Co3  1  0.214  0.565  0.477  1.0
  Co  Co4  1  0.435  0.523  0.786  1.0
  Co  Co5  1  0.786  0.435  0.523  1.0
  H  H6  1  0.088  0.041  0.346  1.0
  H  H7  1  0.912  0.959  0.654  1.0
  H  H8  1  0.041  0.346  0.088  1.0
  H  H9  1  0.654  0.912  0.959  1.0
  H  H10  1  0.346  0.088  0.041  1.0
  H  H11  1  0.959  0.654  0.912  1.0
  C  C12  1  0.931  0.381  0.172  1.0
  C  C13  1  0.069  0.619  0.828  1.0
  C  C14  1  0.619  0.828  0.069  1.0
  C  C15  1  0.381  0.172  0.931  1.0
  C  C16  1  0.828  0.069  0.619  1.0
  C  C17  1  0.172  0.931  0.381  1.0
  O  O18  1  0.618  0.906  0.227  1.0
  O  O19  1  0.773  0.382  0.094  1.0
  O  O20  1  0.406  0.703  0.628  1.0
  O  O21  1  0.372  0.594  0.297  1.0
  O  O22  1  0.094  0.773  0.382  1.0
  O  O23  1  0.979  0.415  0.346  1.0
  O  O24  1  0.382  0.094  0.773  1.0
  O  O25  1  0.594  0.297  0.372  1.0
  O  O26  1  0.415  0.346  0.979  1.0
  O  O27  1  0.227  0.618  0.906  1.0
  O  O28  1  0.297  0.372  0.594  1.0
  O  O29  1  0.628  0.406  0.703  1.0
  O  O30  1  0.703  0.628  0.406  1.0
  O  O31  1  0.906  0.227  0.618  1.0
  O  O32  1  0.346  0.979  0.415  1.0
  O  O33  1  0.654  0.021  0.585  1.0
  O  O34  1  0.585  0.654  0.021  1.0
  O  O35  1  0.021  0.585  0.654  1.0
[/CIF]
.
The material structure described by CoOOH(CO) crystallizes in the trigonal R-3 space group. Co(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 44°. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(3) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to three equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CoHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.371
_cell_length_b   7.371
_cell_length_c   7.371
_cell_angle_alpha   95.531
_cell_angle_beta   95.531
_cell_angle_gamma   95.531
_symmetry_Int_Tables_number   1
_cell_volume   394.535
_cell_formula_units_Z   6
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  0.477  0.214  0.565  1.0
  Co  Co1  1  0.523  0.786  0.435  1.0
  Co  Co2  1  0.565  0.477  0.214  1.0
  Co  Co3  1  0.214  0.565  0.477  1.0
  Co  Co4  1  0.435  0.523  0.786  1.0
  Co  Co5  1  0.786  0.435  0.523  1.0
  H  H6  1  0.088  0.041  0.346  1.0
  H  H7  1  0.912  0.959  0.654  1.0
  H  H8  1  0.041  0.346  0.088  1.0
  H  H9  1  0.654  0.912  0.959  1.0
  H  H10  1  0.346  0.088  0.041  1.0
  H  H11  1  0.959  0.654  0.912  1.0
  C  C12  1  0.931  0.381  0.172  1.0
  C  C13  1  0.069  0.619  0.828  1.0
  C  C14  1  0.619  0.828  0.069  1.0
  C  C15  1  0.381  0.172  0.931  1.0
  C  C16  1  0.828  0.069  0.619  1.0
  C  C17  1  0.172  0.931  0.381  1.0
  O  O18  1  0.618  0.906  0.227  1.0
  O  O19  1  0.773  0.382  0.094  1.0
  O  O20  1  0.406  0.703  0.628  1.0
  O  O21  1  0.372  0.594  0.297  1.0
  O  O22  1  0.094  0.773  0.382  1.0
  O  O23  1  0.979  0.415  0.346  1.0
  O  O24  1  0.382  0.094  0.773  1.0
  O  O25  1  0.594  0.297  0.372  1.0
  O  O26  1  0.415  0.346  0.979  1.0
  O  O27  1  0.227  0.618  0.906  1.0
  O  O28  1  0.297  0.372  0.594  1.0
  O  O29  1  0.628  0.406  0.703  1.0
  O  O30  1  0.703  0.628  0.406  1.0
  O  O31  1  0.906  0.227  0.618  1.0
  O  O32  1  0.346  0.979  0.415  1.0
  O  O33  1  0.654  0.021  0.585  1.0
  O  O34  1  0.585  0.654  0.021  1.0
  O  O35  1  0.021  0.585  0.654  1.0
[/CIF]
.