The material described by GdHSO5 crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Gd(1) and one H(1) atom. is represented by the CIF card [CIF]
data_GdHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   6.884
_cell_length_c   12.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.565
_symmetry_Int_Tables_number   1
_cell_volume   362.112
_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
  Gd  Gd0  1  0.636  0.799  0.939  1.0
  Gd  Gd1  1  0.136  0.299  0.561  1.0
  Gd  Gd2  1  0.364  0.201  0.061  1.0
  Gd  Gd3  1  0.864  0.701  0.439  1.0
  H  H4  1  0.228  0.014  0.847  1.0
  H  H5  1  0.728  0.514  0.653  1.0
  H  H6  1  0.772  0.986  0.153  1.0
  H  H7  1  0.272  0.486  0.347  1.0
  S  S8  1  0.479  0.892  0.648  1.0
  S  S9  1  0.979  0.392  0.852  1.0
  S  S10  1  0.521  0.108  0.352  1.0
  S  S11  1  0.021  0.608  0.148  1.0
  O  O12  1  0.363  0.069  0.665  1.0
  O  O13  1  0.863  0.569  0.835  1.0
  O  O14  1  0.637  0.931  0.335  1.0
  O  O15  1  0.137  0.431  0.165  1.0
  O  O16  1  0.754  0.949  0.570  1.0
  O  O17  1  0.254  0.449  0.930  1.0
  O  O18  1  0.246  0.051  0.430  1.0
  O  O19  1  0.746  0.551  0.070  1.0
  O  O20  1  0.589  0.829  0.752  1.0
  O  O21  1  0.089  0.329  0.748  1.0
  O  O22  1  0.411  0.171  0.248  1.0
  O  O23  1  0.911  0.671  0.252  1.0
  O  O24  1  0.237  0.720  0.601  1.0
  O  O25  1  0.737  0.220  0.899  1.0
  O  O26  1  0.763  0.280  0.399  1.0
  O  O27  1  0.263  0.780  0.101  1.0
  O  O28  1  0.192  0.954  0.919  1.0
  O  O29  1  0.692  0.454  0.581  1.0
  O  O30  1  0.808  0.046  0.081  1.0
  O  O31  1  0.308  0.546  0.419  1.0
[/CIF]
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The material described by GdHSO5 crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Gd(1) and one H(1) atom. is represented by the CIF card [CIF]
data_GdHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   6.884
_cell_length_c   12.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.565
_symmetry_Int_Tables_number   1
_cell_volume   362.112
_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
  Gd  Gd0  1  0.636  0.799  0.939  1.0
  Gd  Gd1  1  0.136  0.299  0.561  1.0
  Gd  Gd2  1  0.364  0.201  0.061  1.0
  Gd  Gd3  1  0.864  0.701  0.439  1.0
  H  H4  1  0.228  0.014  0.847  1.0
  H  H5  1  0.728  0.514  0.653  1.0
  H  H6  1  0.772  0.986  0.153  1.0
  H  H7  1  0.272  0.486  0.347  1.0
  S  S8  1  0.479  0.892  0.648  1.0
  S  S9  1  0.979  0.392  0.852  1.0
  S  S10  1  0.521  0.108  0.352  1.0
  S  S11  1  0.021  0.608  0.148  1.0
  O  O12  1  0.363  0.069  0.665  1.0
  O  O13  1  0.863  0.569  0.835  1.0
  O  O14  1  0.637  0.931  0.335  1.0
  O  O15  1  0.137  0.431  0.165  1.0
  O  O16  1  0.754  0.949  0.570  1.0
  O  O17  1  0.254  0.449  0.930  1.0
  O  O18  1  0.246  0.051  0.430  1.0
  O  O19  1  0.746  0.551  0.070  1.0
  O  O20  1  0.589  0.829  0.752  1.0
  O  O21  1  0.089  0.329  0.748  1.0
  O  O22  1  0.411  0.171  0.248  1.0
  O  O23  1  0.911  0.671  0.252  1.0
  O  O24  1  0.237  0.720  0.601  1.0
  O  O25  1  0.737  0.220  0.899  1.0
  O  O26  1  0.763  0.280  0.399  1.0
  O  O27  1  0.263  0.780  0.101  1.0
  O  O28  1  0.192  0.954  0.919  1.0
  O  O29  1  0.692  0.454  0.581  1.0
  O  O30  1  0.808  0.046  0.081  1.0
  O  O31  1  0.308  0.546  0.419  1.0
[/CIF]
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