Ce2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Cu(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms to form distorted CeIn10Cu2 cuboctahedra that share edges with four equivalent Ce(1)In10Cu2 cuboctahedra, edges with eight equivalent Ce(2)In8Cu4 cuboctahedra, faces with four equivalent Ce(1)In10Cu2 cuboctahedra, and faces with four equivalent Ce(2)In8Cu4 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form CeIn8Cu4 cuboctahedra that share edges with four equivalent Ce(2)In8Cu4 cuboctahedra, edges with eight equivalent Ce(1)In10Cu2 cuboctahedra, faces with four equivalent Ce(1)In10Cu2 cuboctahedra, and faces with four equivalent Ce(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Cu(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Cu(1), and two equivalent In(1) atoms.
Ce2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Cu(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms to form distorted CeIn10Cu2 cuboctahedra that share edges with four equivalent Ce(1)In10Cu2 cuboctahedra, edges with eight equivalent Ce(2)In8Cu4 cuboctahedra, faces with four equivalent Ce(1)In10Cu2 cuboctahedra, and faces with four equivalent Ce(2)In8Cu4 cuboctahedra. Both Ce(1)-Cu(1) bond lengths are 3.23 Å. Both Ce(1)-In(3) bond lengths are 3.58 Å. All Ce(1)-In(1) bond lengths are 3.39 Å. All Ce(1)-In(2) bond lengths are 3.35 Å. In the second Ce site, Ce(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form CeIn8Cu4 cuboctahedra that share edges with four equivalent Ce(2)In8Cu4 cuboctahedra, edges with eight equivalent Ce(1)In10Cu2 cuboctahedra, faces with four equivalent Ce(1)In10Cu2 cuboctahedra, and faces with four equivalent Ce(2)In8Cu4 cuboctahedra. All Ce(2)-Cu(1) bond lengths are 3.34 Å. Both Ce(2)-In(1) bond lengths are 3.43 Å. Both Ce(2)-In(2) bond lengths are 3.21 Å. All Ce(2)-In(3) bond lengths are 3.32 Å. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one In(3), and two equivalent In(2) atoms. The Cu(1)-In(3) bond length is 2.70 Å. Both Cu(1)-In(2) bond lengths are 2.72 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one In(2), and two equivalent In(3) atoms. The In(1)-In(2) bond length is 2.90 Å. Both In(1)-In(3) bond lengths are 2.89 Å. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Cu(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Cu(1), and two equivalent In(1) atoms.