Pr3LaAl4O12 crystallizes in the tetragonal P-42m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(1)O12 cuboctahedra, corners with eight equivalent Pr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Pr(3)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. In the second Pr site, Pr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(2)O12 cuboctahedra, corners with eight equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. In the third Pr site, Pr(3) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted PrO12 cuboctahedra that share corners with four equivalent Pr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Pr(2)O12 cuboctahedra, faces with four equivalent Pr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Pr(2)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(2)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one La(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one La(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Pr(2), two equivalent La(1), and two equivalent Al(1) atoms.
Pr3LaAl4O12 crystallizes in the tetragonal P-42m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(1)O12 cuboctahedra, corners with eight equivalent Pr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Pr(3)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. All Pr(1)-O(1) bond lengths are 2.87 Å. All Pr(1)-O(2) bond lengths are 2.52 Å. All Pr(1)-O(3) bond lengths are 2.68 Å. In the second Pr site, Pr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(2)O12 cuboctahedra, corners with eight equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. All Pr(2)-O(1) bond lengths are 2.53 Å. All Pr(2)-O(2) bond lengths are 2.87 Å. All Pr(2)-O(4) bond lengths are 2.68 Å. In the third Pr site, Pr(3) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted PrO12 cuboctahedra that share corners with four equivalent Pr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Pr(2)O12 cuboctahedra, faces with four equivalent Pr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. All Pr(3)-O(1) bond lengths are 2.49 Å. All Pr(3)-O(2) bond lengths are 2.89 Å. All Pr(3)-O(3) bond lengths are 2.68 Å. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Pr(2)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. All La(1)-O(1) bond lengths are 2.90 Å. All La(1)-O(2) bond lengths are 2.50 Å. All La(1)-O(4) bond lengths are 2.68 Å. Al(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(2)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. The Al(1)-O(3) bond length is 1.90 Å. The Al(1)-O(4) bond length is 1.91 Å. Both Al(1)-O(1) bond lengths are 1.92 Å. Both Al(1)-O(2) bond lengths are 1.92 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one La(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one La(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Pr(2), two equivalent La(1), and two equivalent Al(1) atoms.