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°.
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°. Both Li(1)-O(1) bond lengths are 2.41 Å. There is one shorter (1.93 Å) and two longer (2.30 Å) Li(1)-O(2) bond lengths. 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. Both Pr(1)-O(1) bond lengths are 2.30 Å. All Pr(1)-O(2) bond lengths are 2.37 Å. 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°.