The crystal structure described by LiPr(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Pr(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 water-like geometry to one Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Pr(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.769
_cell_length_b   7.764
_cell_length_c   6.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.314
_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  0.500  0.500  0.009  1.0
  Li  Li1  1  0.000  0.000  0.509  1.0
  Pr  Pr2  1  0.500  0.500  0.509  1.0
  Pr  Pr3  1  0.000  0.000  0.009  1.0
  S  S4  1  0.780  0.220  0.509  1.0
  S  S5  1  0.220  0.780  0.509  1.0
  S  S6  1  0.720  0.720  0.009  1.0
  S  S7  1  0.280  0.280  0.009  1.0
  O  O8  1  0.798  0.398  0.591  1.0
  O  O9  1  0.202  0.602  0.591  1.0
  O  O10  1  0.702  0.898  0.091  1.0
  O  O11  1  0.298  0.102  0.091  1.0
  O  O12  1  0.822  0.092  0.686  1.0
  O  O13  1  0.178  0.908  0.686  1.0
  O  O14  1  0.678  0.592  0.186  1.0
  O  O15  1  0.322  0.408  0.186  1.0
  O  O16  1  0.602  0.201  0.427  1.0
  O  O17  1  0.398  0.799  0.427  1.0
  O  O18  1  0.898  0.701  0.927  1.0
  O  O19  1  0.102  0.299  0.927  1.0
  O  O20  1  0.907  0.178  0.332  1.0
  O  O21  1  0.093  0.822  0.332  1.0
  O  O22  1  0.593  0.678  0.832  1.0
  O  O23  1  0.407  0.322  0.832  1.0
[/CIF]
.
The crystal structure described by LiPr(SO4)2 crystallizes in the tetragonal P-4n2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Pr(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 water-like geometry to one Pr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Pr(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.769
_cell_length_b   7.764
_cell_length_c   6.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.314
_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  0.500  0.500  0.009  1.0
  Li  Li1  1  0.000  0.000  0.509  1.0
  Pr  Pr2  1  0.500  0.500  0.509  1.0
  Pr  Pr3  1  0.000  0.000  0.009  1.0
  S  S4  1  0.780  0.220  0.509  1.0
  S  S5  1  0.220  0.780  0.509  1.0
  S  S6  1  0.720  0.720  0.009  1.0
  S  S7  1  0.280  0.280  0.009  1.0
  O  O8  1  0.798  0.398  0.591  1.0
  O  O9  1  0.202  0.602  0.591  1.0
  O  O10  1  0.702  0.898  0.091  1.0
  O  O11  1  0.298  0.102  0.091  1.0
  O  O12  1  0.822  0.092  0.686  1.0
  O  O13  1  0.178  0.908  0.686  1.0
  O  O14  1  0.678  0.592  0.186  1.0
  O  O15  1  0.322  0.408  0.186  1.0
  O  O16  1  0.602  0.201  0.427  1.0
  O  O17  1  0.398  0.799  0.427  1.0
  O  O18  1  0.898  0.701  0.927  1.0
  O  O19  1  0.102  0.299  0.927  1.0
  O  O20  1  0.907  0.178  0.332  1.0
  O  O21  1  0.093  0.822  0.332  1.0
  O  O22  1  0.593  0.678  0.832  1.0
  O  O23  1  0.407  0.322  0.832  1.0
[/CIF]
.