The compound described by Li8PrO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Pr(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-55°. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra and edges with six equivalent Li(2)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one Pr(1) atom. is represented by the CIF card [CIF]
data_Li8PrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   6.517
_cell_length_c   6.517
_cell_angle_alpha   52.126
_cell_angle_beta   52.126
_cell_angle_gamma   52.126
_symmetry_Int_Tables_number   1
_cell_volume   159.496
_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  0.371  0.371  0.371  1.0
  Li  Li1  1  0.905  0.501  0.222  1.0
  Li  Li2  1  0.501  0.222  0.905  1.0
  Li  Li3  1  0.222  0.905  0.501  1.0
  Li  Li4  1  0.095  0.499  0.778  1.0
  Li  Li5  1  0.499  0.778  0.095  1.0
  Li  Li6  1  0.629  0.629  0.629  1.0
  Li  Li7  1  0.778  0.095  0.499  1.0
  Pr  Pr8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.886  0.244  0.601  1.0
  O  O10  1  0.399  0.114  0.756  1.0
  O  O11  1  0.114  0.756  0.399  1.0
  O  O12  1  0.244  0.601  0.886  1.0
  O  O13  1  0.601  0.886  0.244  1.0
  O  O14  1  0.756  0.399  0.114  1.0
[/CIF]
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The compound described by Li8PrO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Pr(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-55°. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra and edges with six equivalent Li(2)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one Pr(1) atom. is represented by the CIF card [CIF]
data_Li8PrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   6.517
_cell_length_c   6.517
_cell_angle_alpha   52.126
_cell_angle_beta   52.126
_cell_angle_gamma   52.126
_symmetry_Int_Tables_number   1
_cell_volume   159.496
_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  0.371  0.371  0.371  1.0
  Li  Li1  1  0.905  0.501  0.222  1.0
  Li  Li2  1  0.501  0.222  0.905  1.0
  Li  Li3  1  0.222  0.905  0.501  1.0
  Li  Li4  1  0.095  0.499  0.778  1.0
  Li  Li5  1  0.499  0.778  0.095  1.0
  Li  Li6  1  0.629  0.629  0.629  1.0
  Li  Li7  1  0.778  0.095  0.499  1.0
  Pr  Pr8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.886  0.244  0.601  1.0
  O  O10  1  0.399  0.114  0.756  1.0
  O  O11  1  0.114  0.756  0.399  1.0
  O  O12  1  0.244  0.601  0.886  1.0
  O  O13  1  0.601  0.886  0.244  1.0
  O  O14  1  0.756  0.399  0.114  1.0
[/CIF]
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