The compound described by GdSO4Cl crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. 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 four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Gd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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 bent 150 degrees geometry to one Gd(1) and one S(1) atom. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_GdSClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.640
_cell_length_b   6.885
_cell_length_c   9.549
_cell_angle_alpha   74.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.505
_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  0.095  0.827  0.237  1.0
  Gd  Gd1  1  0.595  0.673  0.763  1.0
  Gd  Gd2  1  0.905  0.173  0.763  1.0
  Gd  Gd3  1  0.405  0.327  0.237  1.0
  S  S4  1  0.059  0.708  0.644  1.0
  S  S5  1  0.559  0.792  0.356  1.0
  S  S6  1  0.441  0.208  0.644  1.0
  S  S7  1  0.941  0.292  0.356  1.0
  Cl  Cl8  1  0.140  0.189  0.030  1.0
  Cl  Cl9  1  0.360  0.689  0.030  1.0
  Cl  Cl10  1  0.640  0.311  0.970  1.0
  Cl  Cl11  1  0.860  0.811  0.970  1.0
  O  O12  1  0.428  0.968  0.279  1.0
  O  O13  1  0.072  0.468  0.279  1.0
  O  O14  1  0.942  0.887  0.656  1.0
  O  O15  1  0.246  0.195  0.719  1.0
  O  O16  1  0.412  0.204  0.493  1.0
  O  O17  1  0.058  0.113  0.344  1.0
  O  O18  1  0.442  0.613  0.344  1.0
  O  O19  1  0.254  0.695  0.719  1.0
  O  O20  1  0.912  0.296  0.507  1.0
  O  O21  1  0.588  0.796  0.507  1.0
  O  O22  1  0.558  0.387  0.656  1.0
  O  O23  1  0.572  0.032  0.721  1.0
  O  O24  1  0.928  0.532  0.721  1.0
  O  O25  1  0.088  0.704  0.493  1.0
  O  O26  1  0.746  0.305  0.281  1.0
  O  O27  1  0.754  0.805  0.281  1.0
[/CIF]
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The compound described by GdSO4Cl crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. 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 four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Gd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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 bent 150 degrees geometry to one Gd(1) and one S(1) atom. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_GdSClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.640
_cell_length_b   6.885
_cell_length_c   9.549
_cell_angle_alpha   74.935
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.505
_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  0.095  0.827  0.237  1.0
  Gd  Gd1  1  0.595  0.673  0.763  1.0
  Gd  Gd2  1  0.905  0.173  0.763  1.0
  Gd  Gd3  1  0.405  0.327  0.237  1.0
  S  S4  1  0.059  0.708  0.644  1.0
  S  S5  1  0.559  0.792  0.356  1.0
  S  S6  1  0.441  0.208  0.644  1.0
  S  S7  1  0.941  0.292  0.356  1.0
  Cl  Cl8  1  0.140  0.189  0.030  1.0
  Cl  Cl9  1  0.360  0.689  0.030  1.0
  Cl  Cl10  1  0.640  0.311  0.970  1.0
  Cl  Cl11  1  0.860  0.811  0.970  1.0
  O  O12  1  0.428  0.968  0.279  1.0
  O  O13  1  0.072  0.468  0.279  1.0
  O  O14  1  0.942  0.887  0.656  1.0
  O  O15  1  0.246  0.195  0.719  1.0
  O  O16  1  0.412  0.204  0.493  1.0
  O  O17  1  0.058  0.113  0.344  1.0
  O  O18  1  0.442  0.613  0.344  1.0
  O  O19  1  0.254  0.695  0.719  1.0
  O  O20  1  0.912  0.296  0.507  1.0
  O  O21  1  0.588  0.796  0.507  1.0
  O  O22  1  0.558  0.387  0.656  1.0
  O  O23  1  0.572  0.032  0.721  1.0
  O  O24  1  0.928  0.532  0.721  1.0
  O  O25  1  0.088  0.704  0.493  1.0
  O  O26  1  0.746  0.305  0.281  1.0
  O  O27  1  0.754  0.805  0.281  1.0
[/CIF]
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