ThYC3 is Plutonium carbide-derived structured and crystallizes in the cubic I2_13 space group. Th(1) is bonded in a 9-coordinate geometry to three equivalent C(2) and six equivalent C(1) atoms. Y(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded to two equivalent Th(1), two equivalent Y(1), and one C(1) atom to form distorted CY2Th2C trigonal bipyramids that share corners with twelve equivalent C(1)Y2Th4C pentagonal bipyramids, edges with three equivalent C(1)Y2Th4C pentagonal bipyramids, and edges with four equivalent C(2)Y2Th2C trigonal bipyramids. In the second C site, C(1) is bonded to four equivalent Th(1), two equivalent Y(1), and one C(2) atom to form distorted CY2Th4C pentagonal bipyramids that share corners with eight equivalent C(1)Y2Th4C pentagonal bipyramids, corners with twelve equivalent C(2)Y2Th2C trigonal bipyramids, edges with two equivalent C(1)Y2Th4C pentagonal bipyramids, edges with three equivalent C(2)Y2Th2C trigonal bipyramids, and faces with four equivalent C(1)Y2Th4C pentagonal bipyramids.
ThYC3 is Plutonium carbide-derived structured and crystallizes in the cubic I2_13 space group. Th(1) is bonded in a 9-coordinate geometry to three equivalent C(2) and six equivalent C(1) atoms. All Th(1)-C(2) bond lengths are 2.54 Å. There are three shorter (2.75 Å) and three longer (2.85 Å) Th(1)-C(1) bond lengths. Y(1) is bonded in a 6-coordinate geometry to three equivalent C(1) and three equivalent C(2) atoms. All Y(1)-C(1) bond lengths are 2.55 Å. All Y(1)-C(2) bond lengths are 2.67 Å. There are two inequivalent C sites. In the first C site, C(2) is bonded to two equivalent Th(1), two equivalent Y(1), and one C(1) atom to form distorted CY2Th2C trigonal bipyramids that share corners with twelve equivalent C(1)Y2Th4C pentagonal bipyramids, edges with three equivalent C(1)Y2Th4C pentagonal bipyramids, and edges with four equivalent C(2)Y2Th2C trigonal bipyramids. The C(2)-C(1) bond length is 1.38 Å. In the second C site, C(1) is bonded to four equivalent Th(1), two equivalent Y(1), and one C(2) atom to form distorted CY2Th4C pentagonal bipyramids that share corners with eight equivalent C(1)Y2Th4C pentagonal bipyramids, corners with twelve equivalent C(2)Y2Th2C trigonal bipyramids, edges with two equivalent C(1)Y2Th4C pentagonal bipyramids, edges with three equivalent C(2)Y2Th2C trigonal bipyramids, and faces with four equivalent C(1)Y2Th4C pentagonal bipyramids.