SmCeB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded in a 24-coordinate geometry to eight equivalent B(1) and sixteen equivalent B(2) atoms. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent B(1) and sixteen equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Sm(1), two equivalent Ce(1), one B(1), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent Sm(1), two equivalent Ce(1), two equivalent B(1), and three equivalent B(2) atoms.
SmCeB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded in a 24-coordinate geometry to eight equivalent B(1) and sixteen equivalent B(2) atoms. All Sm(1)-B(1) bond lengths are 3.03 Å. All Sm(1)-B(2) bond lengths are 3.03 Å. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent B(1) and sixteen equivalent B(2) atoms. All Ce(1)-B(1) bond lengths are 3.03 Å. All Ce(1)-B(2) bond lengths are 3.03 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Sm(1), two equivalent Ce(1), one B(1), and four equivalent B(2) atoms. The B(1)-B(1) bond length is 1.64 Å. All B(1)-B(2) bond lengths are 1.75 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent Sm(1), two equivalent Ce(1), two equivalent B(1), and three equivalent B(2) atoms. There are a spread of B(2)-B(2) bond distances ranging from 1.64-1.76 Å.