The compound described by Li2PrO3 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Pr(1)O6 octahedra, corners with six equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Pr(1)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Pr(1)O6 octahedra, and edges with eight equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Pr(1) atoms to form OLi4Pr2 octahedra that share corners with two equivalent O(1)Li4Pr2 octahedra, corners with four equivalent O(2)Li3Pr2 trigonal bipyramids, edges with two equivalent O(1)Li4Pr2 octahedra, and edges with eight equivalent O(2)Li3Pr2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Li(1) and two equivalent Pr(1) atoms to form OLi3Pr2 trigonal bipyramids that share corners with two equivalent O(1)Li4Pr2 octahedra, corners with six equivalent O(2)Li3Pr2 trigonal bipyramids, edges with four equivalent O(1)Li4Pr2 octahedra, and edges with three equivalent O(2)Li3Pr2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF file [CIF]
data_Li2PrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   5.462
_cell_length_c   3.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.174
_symmetry_Int_Tables_number   1
_cell_volume   84.188
_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  0.344  0.656  0.500  1.0
  Li  Li1  1  0.656  0.344  0.500  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.150  0.850  0.500  1.0
  O  O5  1  0.850  0.150  0.500  1.0
[/CIF]
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The compound described by Li2PrO3 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Pr(1)O6 octahedra, corners with six equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Pr(1)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Pr(1)O6 octahedra, and edges with eight equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Pr(1) atoms to form OLi4Pr2 octahedra that share corners with two equivalent O(1)Li4Pr2 octahedra, corners with four equivalent O(2)Li3Pr2 trigonal bipyramids, edges with two equivalent O(1)Li4Pr2 octahedra, and edges with eight equivalent O(2)Li3Pr2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Li(1) and two equivalent Pr(1) atoms to form OLi3Pr2 trigonal bipyramids that share corners with two equivalent O(1)Li4Pr2 octahedra, corners with six equivalent O(2)Li3Pr2 trigonal bipyramids, edges with four equivalent O(1)Li4Pr2 octahedra, and edges with three equivalent O(2)Li3Pr2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF file [CIF]
data_Li2PrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   5.462
_cell_length_c   3.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.174
_symmetry_Int_Tables_number   1
_cell_volume   84.188
_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  0.344  0.656  0.500  1.0
  Li  Li1  1  0.656  0.344  0.500  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.150  0.850  0.500  1.0
  O  O5  1  0.850  0.150  0.500  1.0
[/CIF]
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