The material described by NiH12SO9 crystallizes in the trigonal R3 space group. Ni(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one O(3) atom. S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(1), one H(2), and one H(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one H(2), one H(3), one H(4), and one S(1) atom. is represented by the CIF card [CIF]
data_NiH12SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.929
_cell_length_c   5.930
_cell_angle_alpha   95.226
_cell_angle_beta   95.224
_cell_angle_gamma   95.223
_symmetry_Int_Tables_number   1
_cell_volume   205.649
_cell_formula_units_Z   1
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
  H  H0  1  0.447  0.970  0.041  1.0
  H  H1  1  0.041  0.447  0.970  1.0
  H  H2  1  0.971  0.041  0.447  1.0
  H  H3  1  0.723  0.591  0.932  1.0
  H  H4  1  0.591  0.932  0.723  1.0
  H  H5  1  0.932  0.723  0.591  1.0
  H  H6  1  0.259  0.358  0.860  1.0
  H  H7  1  0.860  0.259  0.358  1.0
  H  H8  1  0.358  0.860  0.259  1.0
  H  H9  1  0.626  0.196  0.811  1.0
  H  H10  1  0.196  0.811  0.626  1.0
  H  H11  1  0.811  0.626  0.196  1.0
  Ni  Ni12  1  0.991  0.991  0.991  1.0
  O  O13  1  0.108  0.310  0.910  1.0
  O  O14  1  0.910  0.108  0.310  1.0
  O  O15  1  0.310  0.910  0.108  1.0
  O  O16  1  0.657  0.043  0.857  1.0
  O  O17  1  0.043  0.857  0.657  1.0
  O  O18  1  0.857  0.657  0.043  1.0
  O  O19  1  0.520  0.442  0.752  1.0
  O  O20  1  0.442  0.752  0.520  1.0
  O  O21  1  0.752  0.520  0.442  1.0
  S  S22  1  0.501  0.501  0.501  1.0
[/CIF]
.
The material described by NiH12SO9 crystallizes in the trigonal R3 space group. Ni(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one O(3) atom. S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(1), one H(2), and one H(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one H(2), one H(3), one H(4), and one S(1) atom. is represented by the CIF card [CIF]
data_NiH12SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.929
_cell_length_c   5.930
_cell_angle_alpha   95.226
_cell_angle_beta   95.224
_cell_angle_gamma   95.223
_symmetry_Int_Tables_number   1
_cell_volume   205.649
_cell_formula_units_Z   1
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
  H  H0  1  0.447  0.970  0.041  1.0
  H  H1  1  0.041  0.447  0.970  1.0
  H  H2  1  0.971  0.041  0.447  1.0
  H  H3  1  0.723  0.591  0.932  1.0
  H  H4  1  0.591  0.932  0.723  1.0
  H  H5  1  0.932  0.723  0.591  1.0
  H  H6  1  0.259  0.358  0.860  1.0
  H  H7  1  0.860  0.259  0.358  1.0
  H  H8  1  0.358  0.860  0.259  1.0
  H  H9  1  0.626  0.196  0.811  1.0
  H  H10  1  0.196  0.811  0.626  1.0
  H  H11  1  0.811  0.626  0.196  1.0
  Ni  Ni12  1  0.991  0.991  0.991  1.0
  O  O13  1  0.108  0.310  0.910  1.0
  O  O14  1  0.910  0.108  0.310  1.0
  O  O15  1  0.310  0.910  0.108  1.0
  O  O16  1  0.657  0.043  0.857  1.0
  O  O17  1  0.043  0.857  0.657  1.0
  O  O18  1  0.857  0.657  0.043  1.0
  O  O19  1  0.520  0.442  0.752  1.0
  O  O20  1  0.442  0.752  0.520  1.0
  O  O21  1  0.752  0.520  0.442  1.0
  S  S22  1  0.501  0.501  0.501  1.0
[/CIF]
.