Sm2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(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 SmIn10Cu2 cuboctahedra that share edges with four equivalent Sm(1)In10Cu2 cuboctahedra, edges with eight equivalent Sm(2)In8Cu4 cuboctahedra, faces with four equivalent Sm(1)In10Cu2 cuboctahedra, and faces with four equivalent Sm(2)In8Cu4 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form SmIn8Cu4 cuboctahedra that share edges with four equivalent Sm(2)In8Cu4 cuboctahedra, edges with eight equivalent Sm(1)In10Cu2 cuboctahedra, faces with four equivalent Sm(1)In10Cu2 cuboctahedra, and faces with four equivalent Sm(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(1), four equivalent Sm(2), one Cu(1), and two equivalent In(1) atoms.
Sm2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(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 SmIn10Cu2 cuboctahedra that share edges with four equivalent Sm(1)In10Cu2 cuboctahedra, edges with eight equivalent Sm(2)In8Cu4 cuboctahedra, faces with four equivalent Sm(1)In10Cu2 cuboctahedra, and faces with four equivalent Sm(2)In8Cu4 cuboctahedra. Both Sm(1)-Cu(1) bond lengths are 3.26 Å. Both Sm(1)-In(3) bond lengths are 3.54 Å. All Sm(1)-In(1) bond lengths are 3.35 Å. All Sm(1)-In(2) bond lengths are 3.36 Å. In the second Sm site, Sm(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form SmIn8Cu4 cuboctahedra that share edges with four equivalent Sm(2)In8Cu4 cuboctahedra, edges with eight equivalent Sm(1)In10Cu2 cuboctahedra, faces with four equivalent Sm(1)In10Cu2 cuboctahedra, and faces with four equivalent Sm(2)In8Cu4 cuboctahedra. All Sm(2)-Cu(1) bond lengths are 3.33 Å. Both Sm(2)-In(1) bond lengths are 3.40 Å. Both Sm(2)-In(2) bond lengths are 3.21 Å. All Sm(2)-In(3) bond lengths are 3.28 Å. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one In(3), and two equivalent In(2) atoms. The Cu(1)-In(3) bond length is 2.65 Å. Both Cu(1)-In(2) bond lengths are 2.69 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one In(2), and two equivalent In(3) atoms. The In(1)-In(2) bond length is 2.88 Å. Both In(1)-In(3) bond lengths are 2.88 Å. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(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 Sm(1), four equivalent Sm(2), one Cu(1), and two equivalent In(1) atoms.