La(CeB8)3 is Calcium hexaboride-derived structured and crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 24-coordinate geometry to two equivalent B(1), two equivalent B(3), four equivalent B(2), four equivalent B(4), four equivalent B(5), four equivalent B(6), and four equivalent B(7) atoms. In the second Ce site, Ce(2) is bonded in a 24-coordinate geometry to four equivalent B(1), four equivalent B(2), eight equivalent B(4), and eight equivalent B(7) atoms. La(1) is bonded in a 24-coordinate geometry to four equivalent B(2), four equivalent B(3), eight equivalent B(5), and eight equivalent B(6) atoms. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(1), and four equivalent B(4) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to one Ce(2), two equivalent Ce(1), one La(1), one B(2), two equivalent B(5), and two equivalent B(7) atoms. In the third B site, B(3) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(3), and four equivalent B(6) atoms. In the fourth B site, B(4) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(7), two equivalent B(1), and two equivalent B(4) atoms. In the fifth B site, B(5) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(5), one B(6), one B(7), and two equivalent B(2) atoms. In the sixth B site, B(6) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(5), two equivalent B(3), and two equivalent B(6) atoms. In the seventh B site, B(7) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(4), one B(5), one B(7), and two equivalent B(2) atoms.
La(CeB8)3 is Calcium hexaboride-derived structured and crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 24-coordinate geometry to two equivalent B(1), two equivalent B(3), four equivalent B(2), four equivalent B(4), four equivalent B(5), four equivalent B(6), and four equivalent B(7) atoms. Both Ce(1)-B(1) bond lengths are 3.02 Å. Both Ce(1)-B(3) bond lengths are 3.04 Å. All Ce(1)-B(2) bond lengths are 3.03 Å. All Ce(1)-B(4) bond lengths are 3.03 Å. All Ce(1)-B(5) bond lengths are 3.03 Å. All Ce(1)-B(6) bond lengths are 3.04 Å. All Ce(1)-B(7) bond lengths are 3.03 Å. In the second Ce site, Ce(2) is bonded in a 24-coordinate geometry to four equivalent B(1), four equivalent B(2), eight equivalent B(4), and eight equivalent B(7) atoms. All Ce(2)-B(1) bond lengths are 3.03 Å. All Ce(2)-B(2) bond lengths are 3.03 Å. All Ce(2)-B(4) bond lengths are 3.03 Å. All Ce(2)-B(7) bond lengths are 3.03 Å. La(1) is bonded in a 24-coordinate geometry to four equivalent B(2), four equivalent B(3), eight equivalent B(5), and eight equivalent B(6) atoms. All La(1)-B(2) bond lengths are 3.04 Å. All La(1)-B(3) bond lengths are 3.03 Å. All La(1)-B(5) bond lengths are 3.04 Å. All La(1)-B(6) bond lengths are 3.04 Å. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(1), and four equivalent B(4) atoms. The B(1)-B(1) bond length is 1.64 Å. All B(1)-B(4) bond lengths are 1.76 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to one Ce(2), two equivalent Ce(1), one La(1), one B(2), two equivalent B(5), and two equivalent B(7) atoms. The B(2)-B(2) bond length is 1.64 Å. Both B(2)-B(5) bond lengths are 1.76 Å. Both B(2)-B(7) bond lengths are 1.76 Å. In the third B site, B(3) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(3), and four equivalent B(6) atoms. The B(3)-B(3) bond length is 1.65 Å. All B(3)-B(6) bond lengths are 1.76 Å. In the fourth B site, B(4) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(7), two equivalent B(1), and two equivalent B(4) atoms. The B(4)-B(7) bond length is 1.64 Å. Both B(4)-B(4) bond lengths are 1.76 Å. In the fifth B site, B(5) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(5), one B(6), one B(7), and two equivalent B(2) atoms. The B(5)-B(5) bond length is 1.76 Å. The B(5)-B(6) bond length is 1.64 Å. The B(5)-B(7) bond length is 1.75 Å. In the sixth B site, B(6) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent La(1), one B(5), two equivalent B(3), and two equivalent B(6) atoms. There is one shorter (1.75 Å) and one longer (1.77 Å) B(6)-B(6) bond length. In the seventh B site, B(7) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one B(4), one B(5), one B(7), and two equivalent B(2) atoms. The B(7)-B(7) bond length is 1.76 Å.