The material structure described by LiPr(SO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(7), one O(8), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent S(2)O4 tetrahedra. Pr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second S site, S(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pr(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Pr(1), and one S(2) 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   6.785
_cell_length_b   7.106
_cell_length_c   13.875
_cell_angle_alpha   75.176
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.772
_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
  Li  Li0  1  0.254  0.043  0.446  1.0
  Li  Li1  1  0.754  0.457  0.554  1.0
  Li  Li2  1  0.246  0.543  0.446  1.0
  Li  Li3  1  0.746  0.957  0.554  1.0
  Pr  Pr4  1  0.389  0.346  0.816  1.0
  Pr  Pr5  1  0.611  0.654  0.184  1.0
  Pr  Pr6  1  0.111  0.846  0.816  1.0
  Pr  Pr7  1  0.889  0.154  0.184  1.0
  S  S8  1  0.572  0.807  0.895  1.0
  S  S9  1  0.072  0.693  0.105  1.0
  S  S10  1  0.596  0.816  0.383  1.0
  S  S11  1  0.428  0.193  0.105  1.0
  S  S12  1  0.904  0.316  0.383  1.0
  S  S13  1  0.928  0.307  0.895  1.0
  S  S14  1  0.404  0.184  0.617  1.0
  S  S15  1  0.096  0.684  0.617  1.0
  O  O16  1  0.246  0.145  0.697  1.0
  O  O17  1  0.112  0.762  0.998  1.0
  O  O18  1  0.888  0.238  0.002  1.0
  O  O19  1  0.053  0.487  0.872  1.0
  O  O20  1  0.756  0.842  0.838  1.0
  O  O21  1  0.445  0.662  0.861  1.0
  O  O22  1  0.746  0.355  0.303  1.0
  O  O23  1  0.186  0.762  0.518  1.0
  O  O24  1  0.553  0.013  0.128  1.0
  O  O25  1  0.988  0.504  0.621  1.0
  O  O26  1  0.814  0.238  0.482  1.0
  O  O27  1  0.947  0.513  0.128  1.0
  O  O28  1  0.468  0.664  0.355  1.0
  O  O29  1  0.945  0.838  0.139  1.0
  O  O30  1  0.686  0.738  0.482  1.0
  O  O31  1  0.388  0.262  0.998  1.0
  O  O32  1  0.012  0.496  0.379  1.0
  O  O33  1  0.254  0.645  0.697  1.0
  O  O34  1  0.447  0.987  0.872  1.0
  O  O35  1  0.488  0.996  0.379  1.0
  O  O36  1  0.256  0.658  0.162  1.0
  O  O37  1  0.032  0.164  0.355  1.0
  O  O38  1  0.244  0.158  0.162  1.0
  O  O39  1  0.532  0.336  0.645  1.0
  O  O40  1  0.314  0.262  0.518  1.0
  O  O41  1  0.055  0.162  0.861  1.0
  O  O42  1  0.555  0.338  0.139  1.0
  O  O43  1  0.612  0.738  0.002  1.0
  O  O44  1  0.744  0.342  0.838  1.0
  O  O45  1  0.512  0.004  0.621  1.0
  O  O46  1  0.754  0.855  0.303  1.0
  O  O47  1  0.968  0.836  0.645  1.0
[/CIF]
.
The material structure described by LiPr(SO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(7), one O(8), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent S(2)O4 tetrahedra. Pr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second S site, S(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pr(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Pr(1), and one S(2) 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   6.785
_cell_length_b   7.106
_cell_length_c   13.875
_cell_angle_alpha   75.176
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.772
_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
  Li  Li0  1  0.254  0.043  0.446  1.0
  Li  Li1  1  0.754  0.457  0.554  1.0
  Li  Li2  1  0.246  0.543  0.446  1.0
  Li  Li3  1  0.746  0.957  0.554  1.0
  Pr  Pr4  1  0.389  0.346  0.816  1.0
  Pr  Pr5  1  0.611  0.654  0.184  1.0
  Pr  Pr6  1  0.111  0.846  0.816  1.0
  Pr  Pr7  1  0.889  0.154  0.184  1.0
  S  S8  1  0.572  0.807  0.895  1.0
  S  S9  1  0.072  0.693  0.105  1.0
  S  S10  1  0.596  0.816  0.383  1.0
  S  S11  1  0.428  0.193  0.105  1.0
  S  S12  1  0.904  0.316  0.383  1.0
  S  S13  1  0.928  0.307  0.895  1.0
  S  S14  1  0.404  0.184  0.617  1.0
  S  S15  1  0.096  0.684  0.617  1.0
  O  O16  1  0.246  0.145  0.697  1.0
  O  O17  1  0.112  0.762  0.998  1.0
  O  O18  1  0.888  0.238  0.002  1.0
  O  O19  1  0.053  0.487  0.872  1.0
  O  O20  1  0.756  0.842  0.838  1.0
  O  O21  1  0.445  0.662  0.861  1.0
  O  O22  1  0.746  0.355  0.303  1.0
  O  O23  1  0.186  0.762  0.518  1.0
  O  O24  1  0.553  0.013  0.128  1.0
  O  O25  1  0.988  0.504  0.621  1.0
  O  O26  1  0.814  0.238  0.482  1.0
  O  O27  1  0.947  0.513  0.128  1.0
  O  O28  1  0.468  0.664  0.355  1.0
  O  O29  1  0.945  0.838  0.139  1.0
  O  O30  1  0.686  0.738  0.482  1.0
  O  O31  1  0.388  0.262  0.998  1.0
  O  O32  1  0.012  0.496  0.379  1.0
  O  O33  1  0.254  0.645  0.697  1.0
  O  O34  1  0.447  0.987  0.872  1.0
  O  O35  1  0.488  0.996  0.379  1.0
  O  O36  1  0.256  0.658  0.162  1.0
  O  O37  1  0.032  0.164  0.355  1.0
  O  O38  1  0.244  0.158  0.162  1.0
  O  O39  1  0.532  0.336  0.645  1.0
  O  O40  1  0.314  0.262  0.518  1.0
  O  O41  1  0.055  0.162  0.861  1.0
  O  O42  1  0.555  0.338  0.139  1.0
  O  O43  1  0.612  0.738  0.002  1.0
  O  O44  1  0.744  0.342  0.838  1.0
  O  O45  1  0.512  0.004  0.621  1.0
  O  O46  1  0.754  0.855  0.303  1.0
  O  O47  1  0.968  0.836  0.645  1.0
[/CIF]
.