MnCuIn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Cu(1), four equivalent Cu(2), one In(3), two equivalent In(1), and two equivalent In(2) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Cu(1), two equivalent Cu(2), one In(1), two equivalent In(3), and four equivalent In(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Cu(2), one In(1), one In(3), and two equivalent In(2) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form InMn6Cu6 cuboctahedra that share corners with two equivalent In(3)Mn6In4Cu2 cuboctahedra, corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with eight equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(1)Mn6Cu6 cuboctahedra, edges with four equivalent In(3)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra. In the second In site, In(2) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(2)Mn6In4Cu2 cuboctahedra, faces with two equivalent In(1)Mn6Cu6 cuboctahedra, faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(3)Mn6In4Cu2 cuboctahedra. In the third In site, In(3) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), and four equivalent In(2) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with two equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with four equivalent In(1)Mn6Cu6 cuboctahedra, and faces with eight equivalent In(2)Mn6In4Cu2 cuboctahedra.
MnCuIn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Cu(1), four equivalent Cu(2), one In(3), two equivalent In(1), and two equivalent In(2) atoms. The Mn(1)-Mn(1) bond length is 2.75 Å. There is one shorter (3.19 Å) and two longer (3.40 Å) Mn(1)-Mn(2) bond lengths. There is one shorter (3.06 Å) and two longer (3.29 Å) Mn(1)-Cu(1) bond lengths. There are two shorter (3.03 Å) and two longer (3.14 Å) Mn(1)-Cu(2) bond lengths. The Mn(1)-In(3) bond length is 3.01 Å. Both Mn(1)-In(1) bond lengths are 3.06 Å. Both Mn(1)-In(2) bond lengths are 3.02 Å. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Cu(1), two equivalent Cu(2), one In(1), two equivalent In(3), and four equivalent In(2) atoms. Both Mn(2)-Cu(1) bond lengths are 3.05 Å. Both Mn(2)-Cu(2) bond lengths are 2.75 Å. The Mn(2)-In(1) bond length is 2.90 Å. Both Mn(2)-In(3) bond lengths are 3.17 Å. There are two shorter (3.07 Å) and two longer (3.30 Å) Mn(2)-In(2) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Cu(2), one In(1), one In(3), and two equivalent In(2) atoms. Both Cu(1)-Cu(2) bond lengths are 2.44 Å. The Cu(1)-In(1) bond length is 2.61 Å. The Cu(1)-In(3) bond length is 2.57 Å. Both Cu(1)-In(2) bond lengths are 2.70 Å. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent In(1) atoms. The Cu(2)-Cu(2) bond length is 2.52 Å. There is one shorter (2.65 Å) and one longer (2.87 Å) Cu(2)-In(1) bond length. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form InMn6Cu6 cuboctahedra that share corners with two equivalent In(3)Mn6In4Cu2 cuboctahedra, corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with eight equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(1)Mn6Cu6 cuboctahedra, edges with four equivalent In(3)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra. In the second In site, In(2) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(2)Mn6In4Cu2 cuboctahedra, faces with two equivalent In(1)Mn6Cu6 cuboctahedra, faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(3)Mn6In4Cu2 cuboctahedra. There is one shorter (2.72 Å) and one longer (2.75 Å) In(2)-In(2) bond length. There is one shorter (2.70 Å) and one longer (2.82 Å) In(2)-In(3) bond length. In the third In site, In(3) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), and four equivalent In(2) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with two equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with four equivalent In(1)Mn6Cu6 cuboctahedra, and faces with eight equivalent In(2)Mn6In4Cu2 cuboctahedra.