MnCuIn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Cu(1); four equivalent Cu(2); two In(2,2); and four equivalent In(1) atoms to form distorted MnIn6Cu6 cuboctahedra that share corners with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Mn(1)In6Cu6 cuboctahedra, edges with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Mn(2); two equivalent Mn(3); two equivalent Cu(1); two equivalent In(1); and four In(2,2,2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, corners with six equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with two equivalent Mn(1)In6Cu6 cuboctahedra, faces with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra. In the third Mn site, Mn(3) is bonded to four equivalent Mn(2); two equivalent Cu(1); two equivalent In(1); and four In(2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with two equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, edges with four equivalent Mn(1)In6Cu6 cuboctahedra, faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, and faces with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mn(1); one Mn(3); two equivalent Mn(2); two equivalent Cu(2); three equivalent In(1); and three In(2,2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Mn(1); two equivalent Cu(1); two equivalent Cu(2); two In(2,2); and four In(1,1) atoms to form distorted CuMn2In6Cu4 cuboctahedra that share corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, corners with six equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(1)In6Cu6 cuboctahedra, and faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. In the second In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the third In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the fourth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the fifth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the sixth In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms.
MnCuIn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Cu(1); four equivalent Cu(2); two In(2,2); and four equivalent In(1) atoms to form distorted MnIn6Cu6 cuboctahedra that share corners with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Mn(1)In6Cu6 cuboctahedra, edges with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra. Both Mn(1)-Cu(1) bond lengths are 2.48 Å. There are two shorter (2.58 Å) and two longer (2.67 Å) Mn(1)-Cu(2) bond lengths. Both Mn(1)-In(2,2) bond lengths are 2.86 Å. All Mn(1)-In(1) bond lengths are 2.95 Å. In the second Mn site, Mn(2) is bonded to two equivalent Mn(2); two equivalent Mn(3); two equivalent Cu(1); two equivalent In(1); and four In(2,2,2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, corners with six equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with two equivalent Mn(1)In6Cu6 cuboctahedra, faces with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra. There is one shorter (2.53 Å) and one longer (2.60 Å) Mn(2)-Mn(2) bond length. There is one shorter (2.60 Å) and one longer (2.65 Å) Mn(2)-Mn(3) bond length. Both Mn(2)-Cu(1) bond lengths are 2.50 Å. Both Mn(2)-In(1) bond lengths are 2.90 Å. There are two shorter (3.03 Å) and two longer (3.04 Å) Mn(2)-In(2,2,2,2) bond lengths. In the third Mn site, Mn(3) is bonded to four equivalent Mn(2); two equivalent Cu(1); two equivalent In(1); and four In(2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with two equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, edges with four equivalent Mn(1)In6Cu6 cuboctahedra, faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, and faces with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra. Both Mn(3)-Cu(1) bond lengths are 2.55 Å. Both Mn(3)-In(1) bond lengths are 2.92 Å. All Mn(3)-In(2,2) bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mn(1); one Mn(3); two equivalent Mn(2); two equivalent Cu(2); three equivalent In(1); and three In(2,2) atoms. Both Cu(1)-Cu(2) bond lengths are 2.47 Å. There are two shorter (3.01 Å) and one longer (3.14 Å) Cu(1)-In(1) bond length. There are two shorter (3.05 Å) and one longer (3.06 Å) Cu(1)-In(2,2) bond length. In the second Cu site, Cu(2) is bonded to two equivalent Mn(1); two equivalent Cu(1); two equivalent Cu(2); two In(2,2); and four In(1,1) atoms to form distorted CuMn2In6Cu4 cuboctahedra that share corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, corners with six equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(1)In6Cu6 cuboctahedra, and faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra. There is one shorter (2.53 Å) and one longer (2.60 Å) Cu(2)-Cu(2) bond length. Both Cu(2)-In(2,2) bond lengths are 2.85 Å. There are two shorter (2.99 Å) and two longer (3.01 Å) Cu(2)-In(1,1) bond lengths. There are six inequivalent In sites. In the first In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. The In(1)-In(1) bond length is 2.90 Å. There are two shorter (3.15 Å) and one longer (3.21 Å) In(1)-In(2,2) bond length. In the second In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. The In(2)-In(2) bond length is 3.02 Å. In the third In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. There are two shorter (3.05 Å) and one longer (3.06 Å) In(2)-Cu(1) bond length. There are two shorter (3.15 Å) and one longer (3.21 Å) In(2)-In(1,1) bond length. In the fourth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. The In(2)-Mn(1) bond length is 2.86 Å. Both In(2)-Mn(3) bond lengths are 2.98 Å. Both In(2)-Cu(2) bond lengths are 2.85 Å. The In(2)-In(2) bond length is 3.02 Å. In the fifth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. The In(2)-Mn(1) bond length is 2.86 Å. Both In(2)-Mn(3) bond lengths are 2.98 Å. Both In(2)-Cu(2) bond lengths are 2.85 Å. There are two shorter (3.05 Å) and one longer (3.06 Å) In(2)-Cu(1) bond length. There are two shorter (3.15 Å) and one longer (3.21 Å) In(2)-In(1,1) bond length. In the sixth In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. The In(1)-Mn(3) bond length is 2.92 Å. Both In(1)-Mn(1) bond lengths are 2.95 Å. Both In(1)-Mn(2) bond lengths are 2.90 Å. There are two shorter (3.01 Å) and one longer (3.14 Å) In(1)-Cu(1) bond length. The In(1)-In(1) bond length is 2.90 Å.