CeCr2B6 crystallizes in the orthorhombic Immm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent B(2) and twelve equivalent B(1) atoms. Cr(1) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Cr(1), one B(2), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Cr(1), one B(2), and two equivalent B(1) atoms.
CeCr2B6 crystallizes in the orthorhombic Immm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent B(2) and twelve equivalent B(1) atoms. All Ce(1)-B(2) bond lengths are 2.79 Å. There are eight shorter (2.82 Å) and four longer (2.95 Å) Ce(1)-B(1) bond lengths. Cr(1) is bonded in a 10-coordinate geometry to four equivalent B(2) and six equivalent B(1) atoms. All Cr(1)-B(2) bond lengths are 2.20 Å. There are two shorter (2.11 Å) and four longer (2.20 Å) Cr(1)-B(1) bond lengths. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Cr(1), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.85 Å. Both B(2)-B(1) bond lengths are 1.74 Å. In the second B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Cr(1), one B(2), and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.78 Å.