The material described by CoHSO4 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form CoH2O4 octahedra that share corners with two equivalent Co(1)H2O4 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. H(1) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)H2O4 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.206
_cell_length_c   7.127
_cell_angle_alpha   111.695
_cell_angle_beta   111.695
_cell_angle_gamma   100.275
_symmetry_Int_Tables_number   1
_cell_volume   155.257
_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
  Co  Co0  1  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  H  H2  1  0.308  0.692  0.750  1.0
  H  H3  1  0.692  0.308  0.250  1.0
  S  S4  1  0.918  0.082  0.750  1.0
  S  S5  1  0.082  0.918  0.250  1.0
  O  O6  1  0.786  0.164  0.904  1.0
  O  O7  1  0.214  0.836  0.096  1.0
  O  O8  1  0.836  0.214  0.596  1.0
  O  O9  1  0.164  0.786  0.404  1.0
  O  O10  1  0.250  0.202  0.889  1.0
  O  O11  1  0.750  0.798  0.111  1.0
  O  O12  1  0.798  0.750  0.611  1.0
  O  O13  1  0.202  0.250  0.389  1.0
[/CIF]
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The material described by CoHSO4 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form CoH2O4 octahedra that share corners with two equivalent Co(1)H2O4 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. H(1) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)H2O4 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.206
_cell_length_c   7.127
_cell_angle_alpha   111.695
_cell_angle_beta   111.695
_cell_angle_gamma   100.275
_symmetry_Int_Tables_number   1
_cell_volume   155.257
_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
  Co  Co0  1  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  H  H2  1  0.308  0.692  0.750  1.0
  H  H3  1  0.692  0.308  0.250  1.0
  S  S4  1  0.918  0.082  0.750  1.0
  S  S5  1  0.082  0.918  0.250  1.0
  O  O6  1  0.786  0.164  0.904  1.0
  O  O7  1  0.214  0.836  0.096  1.0
  O  O8  1  0.836  0.214  0.596  1.0
  O  O9  1  0.164  0.786  0.404  1.0
  O  O10  1  0.250  0.202  0.889  1.0
  O  O11  1  0.750  0.798  0.111  1.0
  O  O12  1  0.798  0.750  0.611  1.0
  O  O13  1  0.202  0.250  0.389  1.0
[/CIF]
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