TiNi(TiCo) crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Co(3), and two equivalent Ni(3) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Co(3), and two equivalent Ni(3) atoms. In the sixth Ti site, Ti(6) is bonded in a 14-coordinate geometry to one Ti(1), one Ti(2), one Ti(4), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Ti(2), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms to form CoTi6CoNi5 cuboctahedra that share faces with two equivalent Co(1)Ti6CoNi5 cuboctahedra and faces with four equivalent Co(2)Ti6Co2Ni4 cuboctahedra. In the second Co site, Co(2) is bonded to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), two equivalent Co(3), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoTi6Co2Ni4 cuboctahedra that share faces with two equivalent Co(2)Ti6Co2Ni4 cuboctahedra and faces with four equivalent Co(1)Ti6CoNi5 cuboctahedra. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), two equivalent Co(3), and one Ni(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(1), two equivalent Co(2), and two equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), one Ni(3), and two equivalent Ni(2) atoms.
TiNi(TiCo) crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Co(3), and two equivalent Ni(3) atoms. All Ti(1)-Ti(6) bond lengths are 2.84 Å. Both Ti(1)-Co(2) bond lengths are 2.71 Å. Both Ti(1)-Co(3) bond lengths are 2.70 Å. Both Ti(1)-Ni(3) bond lengths are 2.56 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. All Ti(2)-Ti(6) bond lengths are 2.86 Å. Both Ti(2)-Co(1) bond lengths are 2.73 Å. Both Ti(2)-Ni(1) bond lengths are 2.68 Å. Both Ti(2)-Ni(2) bond lengths are 2.55 Å. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. There is one shorter (2.83 Å) and one longer (2.85 Å) Ti(3)-Ti(6) bond length. The Ti(3)-Co(1) bond length is 2.71 Å. The Ti(3)-Co(2) bond length is 2.73 Å. The Ti(3)-Co(3) bond length is 2.69 Å. The Ti(3)-Ni(1) bond length is 2.70 Å. The Ti(3)-Ni(2) bond length is 2.55 Å. The Ti(3)-Ni(3) bond length is 2.56 Å. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. All Ti(4)-Ti(6) bond lengths are 3.05 Å. Both Ti(4)-Co(2) bond lengths are 2.75 Å. Both Ti(4)-Ni(1) bond lengths are 2.57 Å. Both Ti(4)-Ni(2) bond lengths are 2.71 Å. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to four equivalent Ti(6), two equivalent Co(1), two equivalent Co(3), and two equivalent Ni(3) atoms. All Ti(5)-Ti(6) bond lengths are 3.02 Å. Both Ti(5)-Co(1) bond lengths are 2.73 Å. Both Ti(5)-Co(3) bond lengths are 2.55 Å. Both Ti(5)-Ni(3) bond lengths are 2.72 Å. In the sixth Ti site, Ti(6) is bonded in a 14-coordinate geometry to one Ti(1), one Ti(2), one Ti(4), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(2), one Co(3), one Ni(1), one Ni(2), and one Ni(3) atom. There is one shorter (3.01 Å) and one longer (3.06 Å) Ti(6)-Ti(6) bond length. The Ti(6)-Co(1) bond length is 2.76 Å. The Ti(6)-Co(2) bond length is 2.72 Å. The Ti(6)-Co(3) bond length is 2.53 Å. The Ti(6)-Ni(1) bond length is 2.59 Å. The Ti(6)-Ni(2) bond length is 2.72 Å. The Ti(6)-Ni(3) bond length is 2.72 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Ti(2), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(3), one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms to form CoTi6CoNi5 cuboctahedra that share faces with two equivalent Co(1)Ti6CoNi5 cuboctahedra and faces with four equivalent Co(2)Ti6Co2Ni4 cuboctahedra. The Co(1)-Co(3) bond length is 2.37 Å. The Co(1)-Ni(2) bond length is 2.39 Å. Both Co(1)-Ni(1) bond lengths are 2.39 Å. Both Co(1)-Ni(3) bond lengths are 2.37 Å. In the second Co site, Co(2) is bonded to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), two equivalent Co(3), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoTi6Co2Ni4 cuboctahedra that share faces with two equivalent Co(2)Ti6Co2Ni4 cuboctahedra and faces with four equivalent Co(1)Ti6CoNi5 cuboctahedra. Both Co(2)-Co(3) bond lengths are 2.38 Å. The Co(2)-Ni(1) bond length is 2.38 Å. The Co(2)-Ni(3) bond length is 2.38 Å. Both Co(2)-Ni(2) bond lengths are 2.39 Å. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Ni(1) atoms. The Co(3)-Co(3) bond length is 2.67 Å. Both Co(3)-Ni(1) bond lengths are 2.65 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), two equivalent Co(3), and one Ni(1) atom. The Ni(1)-Ni(1) bond length is 2.63 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(3), two equivalent Ti(6), one Co(1), two equivalent Co(2), and two equivalent Ni(3) atoms. Both Ni(2)-Ni(3) bond lengths are 2.67 Å. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to one Ti(1), one Ti(5), two equivalent Ti(3), two equivalent Ti(6), one Co(2), two equivalent Co(1), one Ni(3), and two equivalent Ni(2) atoms. The Ni(3)-Ni(3) bond length is 2.65 Å.