TiCrMn is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Ti(1), three equivalent Ti(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 Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2), three equivalent Ti(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 Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2); three Ti(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 Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Ti(1); three Ti(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 Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2); three Ti(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent Ti(1), three equivalent Ti(2), two equivalent Cr(2), one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted CrTi6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with three equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra. In the second Cr site, Cr(2) is bonded to two Ti(2,2); four Ti(1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form distorted CrTi6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Ti6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two Ti(2,2); four Ti(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form distorted MnTi6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Ti6Cr6 cuboctahedra, edges with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Ti(1,1); four Ti(2,2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form distorted MnTi6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra. In the third Mn site, Mn(3) is bonded to two Ti(1,1); four Ti(2,2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form distorted MnTi6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra.
TiCrMn is alpha-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Ti(1), three equivalent Ti(2), three equivalent Cr(1), four equivalent Cr(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(2) atoms. The Ti(1)-Ti(1) bond length is 2.85 Å. There are two shorter (3.04 Å) and one longer (3.07 Å) Ti(1)-Ti(2) bond length. There are two shorter (2.93 Å) and one longer (2.96 Å) Ti(1)-Cr(1) bond length. There are two shorter (2.90 Å) and two longer (2.91 Å) Ti(1)-Cr(2) bond lengths. The Ti(1)-Mn(3) bond length is 2.74 Å. Both Ti(1)-Mn(1) bond lengths are 2.88 Å. Both Ti(1)-Mn(2) bond lengths are 2.74 Å. In the second Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2), three equivalent Ti(1), two equivalent Cr(2), three equivalent Cr(1), one Mn(1), two equivalent Mn(3), and four equivalent Mn(2) atoms. The Ti(2)-Ti(2) bond length is 2.83 Å. Both Ti(2)-Cr(2) bond lengths are 2.74 Å. There are two shorter (2.94 Å) and one longer (2.98 Å) Ti(2)-Cr(1) bond length. The Ti(2)-Mn(1) bond length is 2.76 Å. Both Ti(2)-Mn(3) bond lengths are 2.87 Å. All Ti(2)-Mn(2) bond lengths are 2.90 Å. In the third Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2); three Ti(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. There are two shorter (3.04 Å) and one longer (3.07 Å) Ti(2)-Ti(1,1) bond length. Both Ti(2)-Cr(2) bond lengths are 2.74 Å. There are two shorter (2.94 Å) and one longer (2.98 Å) Ti(2)-Cr(1) bond length. The Ti(2)-Mn(1) bond length is 2.76 Å. Both Ti(2)-Mn(3) bond lengths are 2.87 Å. All Ti(2)-Mn(2) bond lengths are 2.90 Å. In the fourth Ti site, Ti(1) is bonded in a 16-coordinate geometry to one Ti(1); three Ti(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. The Ti(1)-Ti(2) bond length is 3.07 Å. There are two shorter (2.93 Å) and one longer (2.96 Å) Ti(1)-Cr(1) bond length. There are two shorter (2.90 Å) and two longer (2.91 Å) Ti(1)-Cr(2) bond lengths. The Ti(1)-Mn(3) bond length is 2.74 Å. Both Ti(1)-Mn(1) bond lengths are 2.88 Å. Both Ti(1)-Mn(2) bond lengths are 2.74 Å. In the fifth Ti site, Ti(2) is bonded in a 16-coordinate geometry to one Ti(2); three Ti(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. The Ti(2)-Ti(2) bond length is 2.83 Å. Both Ti(2)-Ti(1) bond lengths are 3.04 Å. Both Ti(2)-Cr(2) bond lengths are 2.74 Å. There are two shorter (2.94 Å) and one longer (2.98 Å) Ti(2)-Cr(1) bond length. The Ti(2)-Mn(1) bond length is 2.76 Å. Both Ti(2)-Mn(3) bond lengths are 2.87 Å. All Ti(2)-Mn(2) bond lengths are 2.90 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent Ti(1), three equivalent Ti(2), two equivalent Cr(2), one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted CrTi6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with three equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra. Both Cr(1)-Cr(2) bond lengths are 2.39 Å. The Cr(1)-Mn(1) bond length is 2.39 Å. The Cr(1)-Mn(3) bond length is 2.42 Å. Both Cr(1)-Mn(2) bond lengths are 2.41 Å. In the second Cr site, Cr(2) is bonded to two Ti(2,2); four Ti(1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form distorted CrTi6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Ti6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra. There is one shorter (2.42 Å) and one longer (2.59 Å) Cr(2)-Cr(2) bond length. There is one shorter (2.47 Å) and one longer (2.58 Å) Cr(2)-Mn(1) bond length. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two Ti(2,2); four Ti(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form distorted MnTi6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Ti6Cr6 cuboctahedra, edges with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Ti(1,1); four Ti(2,2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form distorted MnTi6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with four equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra. There is one shorter (2.46 Å) and one longer (2.55 Å) Mn(2)-Mn(2) bond length. There is one shorter (2.48 Å) and one longer (2.58 Å) Mn(2)-Mn(3) bond length. In the third Mn site, Mn(3) is bonded to two Ti(1,1); four Ti(2,2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form distorted MnTi6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Ti6Cr6 cuboctahedra, corners with four equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Ti6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Ti6Cr6 cuboctahedra, faces with four equivalent Cr(2)Ti6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Ti6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Ti6Mn4Cr2 cuboctahedra.