ThCr2B6 crystallizes in the orthorhombic Immm space group. Th(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 Th(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 Th(1), three equivalent Cr(1), one B(2), and two equivalent B(1) atoms.
ThCr2B6 crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent B(2) and twelve equivalent B(1) atoms. All Th(1)-B(2) bond lengths are 2.82 Å. There are eight shorter (2.84 Å) and four longer (2.97 Å) Th(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 2.22 Å. There are two shorter (2.13 Å) and four longer (2.22 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 Th(1), four equivalent Cr(1), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.84 Å. Both B(2)-B(1) bond lengths are 1.75 Å. In the second B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Th(1), three equivalent Cr(1), one B(2), and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.80 Å.