The compound described by Al(OH)SO4 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. H(1) is bonded in a single-bond geometry to one O(3) atom. 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 Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   7.075
_cell_angle_alpha   70.095
_cell_angle_beta   70.095
_cell_angle_gamma   90.777
_symmetry_Int_Tables_number   1
_cell_volume   160.667
_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
  Al  Al0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.281  0.719  0.250  1.0
  H  H3  1  0.719  0.281  0.750  1.0
  S  S4  1  0.869  0.131  0.250  1.0
  S  S5  1  0.131  0.869  0.750  1.0
  O  O6  1  0.179  0.195  0.150  1.0
  O  O7  1  0.805  0.821  0.350  1.0
  O  O8  1  0.821  0.805  0.850  1.0
  O  O9  1  0.195  0.179  0.650  1.0
  O  O10  1  0.761  0.258  0.417  1.0
  O  O11  1  0.742  0.239  0.083  1.0
  O  O12  1  0.239  0.742  0.583  1.0
  O  O13  1  0.258  0.761  0.917  1.0
  O  O14  1  0.415  0.585  0.250  1.0
  O  O15  1  0.585  0.415  0.750  1.0
[/CIF]
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The compound described by Al(OH)SO4 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. H(1) is bonded in a single-bond geometry to one O(3) atom. 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 Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   5.096
_cell_length_c   7.075
_cell_angle_alpha   70.095
_cell_angle_beta   70.095
_cell_angle_gamma   90.777
_symmetry_Int_Tables_number   1
_cell_volume   160.667
_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
  Al  Al0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.281  0.719  0.250  1.0
  H  H3  1  0.719  0.281  0.750  1.0
  S  S4  1  0.869  0.131  0.250  1.0
  S  S5  1  0.131  0.869  0.750  1.0
  O  O6  1  0.179  0.195  0.150  1.0
  O  O7  1  0.805  0.821  0.350  1.0
  O  O8  1  0.821  0.805  0.850  1.0
  O  O9  1  0.195  0.179  0.650  1.0
  O  O10  1  0.761  0.258  0.417  1.0
  O  O11  1  0.742  0.239  0.083  1.0
  O  O12  1  0.239  0.742  0.583  1.0
  O  O13  1  0.258  0.761  0.917  1.0
  O  O14  1  0.415  0.585  0.250  1.0
  O  O15  1  0.585  0.415  0.750  1.0
[/CIF]
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