The crystal structure described by LiPr2(O2Br)2 is Potassium chlorate-derived structured and crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one Br(1), and two equivalent Br(2) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent Br(2) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), one Br(2), and two equivalent Br(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Pr(1), and two equivalent Pr(2) atoms to form distorted OLiPr3 tetrahedra that share corners with two equivalent O(1)LiPr3 tetrahedra and corners with four equivalent O(4)Pr3O tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one O(4) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Pr(1) and two equivalent Pr(2) atoms. In the fourth O site, O(4) is bonded to one Pr(2), two equivalent Pr(1), and one O(2) atom to form OPr3O tetrahedra that share corners with two equivalent O(4)Pr3O tetrahedra and corners with four equivalent O(1)LiPr3 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Li(1) and two equivalent Pr(2) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Pr(2), and two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_LiPr2(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.269
_cell_length_b   6.206
_cell_length_c   7.328
_cell_angle_alpha   117.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.492
_cell_formula_units_Z   1
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  0.750  0.552  0.164  1.0
  Pr  Pr1  1  0.750  0.196  0.383  1.0
  Pr  Pr2  1  0.250  0.866  0.630  1.0
  Br  Br3  1  0.750  0.747  0.937  1.0
  Br  Br4  1  0.250  0.292  0.068  1.0
  O  O5  1  0.750  0.603  0.445  1.0
  O  O6  1  0.250  0.235  0.550  1.0
  O  O7  1  0.750  0.014  0.615  1.0
  O  O8  1  0.250  0.994  0.358  1.0
[/CIF]
.
The crystal structure described by LiPr2(O2Br)2 is Potassium chlorate-derived structured and crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one Br(1), and two equivalent Br(2) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent Br(2) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), one Br(2), and two equivalent Br(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Pr(1), and two equivalent Pr(2) atoms to form distorted OLiPr3 tetrahedra that share corners with two equivalent O(1)LiPr3 tetrahedra and corners with four equivalent O(4)Pr3O tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one O(4) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Pr(1) and two equivalent Pr(2) atoms. In the fourth O site, O(4) is bonded to one Pr(2), two equivalent Pr(1), and one O(2) atom to form OPr3O tetrahedra that share corners with two equivalent O(4)Pr3O tetrahedra and corners with four equivalent O(1)LiPr3 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Li(1) and two equivalent Pr(2) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Pr(2), and two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_LiPr2(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.269
_cell_length_b   6.206
_cell_length_c   7.328
_cell_angle_alpha   117.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.492
_cell_formula_units_Z   1
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  0.750  0.552  0.164  1.0
  Pr  Pr1  1  0.750  0.196  0.383  1.0
  Pr  Pr2  1  0.250  0.866  0.630  1.0
  Br  Br3  1  0.750  0.747  0.937  1.0
  Br  Br4  1  0.250  0.292  0.068  1.0
  O  O5  1  0.750  0.603  0.445  1.0
  O  O6  1  0.250  0.235  0.550  1.0
  O  O7  1  0.750  0.014  0.615  1.0
  O  O8  1  0.250  0.994  0.358  1.0
[/CIF]
.