ScCrMn crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the second Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(1), two equivalent Cr(2), three equivalent Cr(1), one Mn(1), two equivalent Mn(3), and four equivalent Mn(2) atoms. In the third Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2); three Sc(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. In the fourth Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the fifth Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(1), two equivalent Cr(2), three equivalent Cr(1), one Mn(1), two equivalent Mn(3), and four equivalent Mn(2) atoms. In the sixth Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Sc(1,1); three Sc(2,2); two equivalent Cr(2); one Mn(1); one Mn(3); and two equivalent Mn(2) atoms to form CrSc6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with three equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra. In the second Cr site, Cr(2) is bonded to two Sc(2,2); four Sc(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form CrSc6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Sc6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two Sc(2,2); four Sc(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form MnSc6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Sc6Cr6 cuboctahedra, edges with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Sc(1,1); four Sc(2,2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form MnSc6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra. In the third Mn site, Mn(3) is bonded to two Sc(1,1); four equivalent Sc(2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form MnSc6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra.
ScCrMn crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. The Sc(1)-Sc(1) bond length is 3.06 Å. All Sc(1)-Sc(2,2) bond lengths are 3.05 Å. There are two shorter (2.92 Å) and one longer (2.93 Å) Sc(1)-Cr(1) bond length. There are two shorter (2.92 Å) and two longer (2.93 Å) Sc(1)-Cr(2) bond lengths. The Sc(1)-Mn(3) bond length is 2.83 Å. Both Sc(1)-Mn(1) bond lengths are 2.93 Å. Both Sc(1)-Mn(2) bond lengths are 2.84 Å. In the second Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(1), two equivalent Cr(2), three equivalent Cr(1), one Mn(1), two equivalent Mn(3), and four equivalent Mn(2) atoms. The Sc(2)-Sc(2) bond length is 2.94 Å. Both Sc(2)-Cr(2) bond lengths are 2.89 Å. There is one shorter (2.91 Å) and two longer (2.93 Å) Sc(2)-Cr(1) bond lengths. The Sc(2)-Mn(1) bond length is 2.89 Å. Both Sc(2)-Mn(3) bond lengths are 2.90 Å. There are two shorter (2.89 Å) and two longer (2.90 Å) Sc(2)-Mn(2) bond lengths. In the third Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2); three Sc(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. All Sc(2)-Sc(1,1) bond lengths are 3.05 Å. Both Sc(2)-Cr(2) bond lengths are 2.89 Å. There is one shorter (2.91 Å) and two longer (2.93 Å) Sc(2)-Cr(1) bond lengths. The Sc(2)-Mn(1) bond length is 2.89 Å. Both Sc(2)-Mn(3) bond lengths are 2.90 Å. There are two shorter (2.89 Å) and two longer (2.90 Å) Sc(2)-Mn(2) bond lengths. In the fourth Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. Both Sc(1)-Sc(2) bond lengths are 3.05 Å. There are two shorter (2.92 Å) and one longer (2.93 Å) Sc(1)-Cr(1) bond length. There are two shorter (2.92 Å) and two longer (2.93 Å) Sc(1)-Cr(2) bond lengths. The Sc(1)-Mn(3) bond length is 2.83 Å. Both Sc(1)-Mn(1) bond lengths are 2.93 Å. Both Sc(1)-Mn(2) bond lengths are 2.84 Å. In the fifth Sc site, Sc(2) is bonded in a 16-coordinate geometry to one Sc(2), three equivalent Sc(1), two equivalent Cr(2), three equivalent Cr(1), one Mn(1), two equivalent Mn(3), and four equivalent Mn(2) atoms. The Sc(2)-Sc(2) bond length is 2.94 Å. Both Sc(2)-Cr(2) bond lengths are 2.89 Å. There is one shorter (2.91 Å) and two longer (2.93 Å) Sc(2)-Cr(1) bond lengths. The Sc(2)-Mn(1) bond length is 2.89 Å. Both Sc(2)-Mn(3) bond lengths are 2.90 Å. There are two shorter (2.89 Å) and two longer (2.90 Å) Sc(2)-Mn(2) bond lengths. In the sixth Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1); three Sc(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. The Sc(1)-Sc(1) bond length is 3.06 Å. The Sc(1)-Sc(2) bond length is 3.05 Å. There are two shorter (2.92 Å) and one longer (2.93 Å) Sc(1)-Cr(1) bond length. There are two shorter (2.92 Å) and two longer (2.93 Å) Sc(1)-Cr(2) bond lengths. The Sc(1)-Mn(3) bond length is 2.83 Å. Both Sc(1)-Mn(1) bond lengths are 2.93 Å. Both Sc(1)-Mn(2) bond lengths are 2.84 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Sc(1,1); three Sc(2,2); two equivalent Cr(2); one Mn(1); one Mn(3); and two equivalent Mn(2) atoms to form CrSc6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with three equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra. Both Cr(1)-Cr(2) bond lengths are 2.51 Å. The Cr(1)-Mn(1) bond length is 2.50 Å. The Cr(1)-Mn(3) bond length is 2.47 Å. Both Cr(1)-Mn(2) bond lengths are 2.45 Å. In the second Cr site, Cr(2) is bonded to two Sc(2,2); four Sc(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form CrSc6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Sc6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra. There is one shorter (2.45 Å) and one longer (2.54 Å) Cr(2)-Cr(2) bond length. There is one shorter (2.43 Å) and one longer (2.55 Å) Cr(2)-Mn(1) bond length. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two Sc(2,2); four Sc(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form MnSc6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Sc6Cr6 cuboctahedra, edges with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Sc(1,1); four Sc(2,2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form MnSc6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with four equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra. There is one shorter (2.44 Å) and one longer (2.56 Å) Mn(2)-Mn(2) bond length. There is one shorter (2.43 Å) and one longer (2.56 Å) Mn(2)-Mn(3) bond length. In the third Mn site, Mn(3) is bonded to two Sc(1,1); four equivalent Sc(2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form MnSc6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Sc6Cr6 cuboctahedra, corners with four equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Sc6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Sc6Cr6 cuboctahedra, faces with four equivalent Cr(2)Sc6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Sc6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Sc6Mn4Cr2 cuboctahedra.