The structure described by LiGd(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Gd(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Gd(1) and one S(1) atom. is represented by the CIF card [CIF]
data_LiGd(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   5.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.495
_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
  Li  Li0  1  0.000  0.500  0.750  1.0
  Li  Li1  1  0.500  0.000  0.250  1.0
  Gd  Gd2  1  0.000  0.500  0.250  1.0
  Gd  Gd3  1  0.500  0.000  0.750  1.0
  S  S4  1  0.221  0.279  0.750  1.0
  S  S5  1  0.779  0.721  0.750  1.0
  S  S6  1  0.721  0.221  0.250  1.0
  S  S7  1  0.279  0.779  0.250  1.0
  O  O8  1  0.183  0.412  0.930  1.0
  O  O9  1  0.817  0.588  0.930  1.0
  O  O10  1  0.683  0.088  0.430  1.0
  O  O11  1  0.317  0.912  0.430  1.0
  O  O12  1  0.588  0.183  0.070  1.0
  O  O13  1  0.412  0.817  0.070  1.0
  O  O14  1  0.088  0.317  0.570  1.0
  O  O15  1  0.912  0.683  0.570  1.0
  O  O16  1  0.206  0.100  0.844  1.0
  O  O17  1  0.794  0.900  0.844  1.0
  O  O18  1  0.706  0.400  0.344  1.0
  O  O19  1  0.294  0.600  0.344  1.0
  O  O20  1  0.100  0.794  0.156  1.0
  O  O21  1  0.900  0.206  0.156  1.0
  O  O22  1  0.600  0.706  0.656  1.0
  O  O23  1  0.400  0.294  0.656  1.0
[/CIF]
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The structure described by LiGd(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Gd(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Gd(1) and one S(1) atom. is represented by the CIF card [CIF]
data_LiGd(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   5.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.495
_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
  Li  Li0  1  0.000  0.500  0.750  1.0
  Li  Li1  1  0.500  0.000  0.250  1.0
  Gd  Gd2  1  0.000  0.500  0.250  1.0
  Gd  Gd3  1  0.500  0.000  0.750  1.0
  S  S4  1  0.221  0.279  0.750  1.0
  S  S5  1  0.779  0.721  0.750  1.0
  S  S6  1  0.721  0.221  0.250  1.0
  S  S7  1  0.279  0.779  0.250  1.0
  O  O8  1  0.183  0.412  0.930  1.0
  O  O9  1  0.817  0.588  0.930  1.0
  O  O10  1  0.683  0.088  0.430  1.0
  O  O11  1  0.317  0.912  0.430  1.0
  O  O12  1  0.588  0.183  0.070  1.0
  O  O13  1  0.412  0.817  0.070  1.0
  O  O14  1  0.088  0.317  0.570  1.0
  O  O15  1  0.912  0.683  0.570  1.0
  O  O16  1  0.206  0.100  0.844  1.0
  O  O17  1  0.794  0.900  0.844  1.0
  O  O18  1  0.706  0.400  0.344  1.0
  O  O19  1  0.294  0.600  0.344  1.0
  O  O20  1  0.100  0.794  0.156  1.0
  O  O21  1  0.900  0.206  0.156  1.0
  O  O22  1  0.600  0.706  0.656  1.0
  O  O23  1  0.400  0.294  0.656  1.0
[/CIF]
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