ThCrB4 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent B(2), four equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(4), and four equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(3), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Cr(1), one B(2), one B(3), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(1), one B(2), and one B(3) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(2), and two equivalent B(1) atoms.
ThCrB4 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent B(2), four equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. Both Th(1)-B(2) bond lengths are 2.72 Å. There are two shorter (2.80 Å) and two longer (2.82 Å) Th(1)-B(1) bond lengths. There are two shorter (2.79 Å) and two longer (2.82 Å) Th(1)-B(3) bond lengths. There are two shorter (2.78 Å) and two longer (2.83 Å) Th(1)-B(4) bond lengths. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(4), and four equivalent B(2) atoms. Both Cr(1)-B(1) bond lengths are 2.32 Å. Both Cr(1)-B(3) bond lengths are 2.36 Å. Both Cr(1)-B(4) bond lengths are 2.36 Å. There are two shorter (2.37 Å) and two longer (2.38 Å) Cr(1)-B(2) bond lengths. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(3), and two equivalent B(4) atoms. The B(1)-B(3) bond length is 1.82 Å. There is one shorter (1.83 Å) and one longer (1.94 Å) B(1)-B(4) bond length. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Cr(1), one B(2), one B(3), and one B(4) atom. The B(2)-B(2) bond length is 1.70 Å. The B(2)-B(3) bond length is 1.75 Å. The B(2)-B(4) bond length is 1.75 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(1), one B(2), and one B(3) atom. The B(3)-B(3) bond length is 1.90 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent Cr(1), one B(2), and two equivalent B(1) atoms.