Ti8Co3NiInSn3 is Heusler-derived structured and crystallizes in the trigonal R3m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Co(3), three equivalent Co(2), one Sn(1), and three equivalent Sn(2) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to three equivalent Co(3), one Ni(1), one Sn(2), and three equivalent Sn(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted body-centered cubic geometry to one Co(1), three equivalent Ni(1), three equivalent In(1), and one Sn(3) atom. In the fourth Ti site, Ti(4) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(1), one In(1), and three equivalent Sn(1) atoms. In the fifth Ti site, Ti(5) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(3), one Sn(3), and three equivalent Sn(2) atoms. In the sixth Ti site, Ti(6) is bonded in a distorted body-centered cubic geometry to one Co(3), three equivalent Ni(1), one In(1), and three equivalent Sn(3) atoms. In the seventh Ti site, Ti(7) is bonded in a distorted body-centered cubic geometry to three equivalent Co(1), one Ni(1), three equivalent In(1), and one Sn(1) atom. In the eighth Ti site, Ti(8) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Co(2), one Sn(2), and three equivalent Sn(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(3), one Ti(8), three equivalent Ti(4), three equivalent Ti(7), and three equivalent In(1) atoms. In the second Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(3), one Ti(8), three equivalent Ti(4), three equivalent Ti(7), and three equivalent In(1) atoms. In the third Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Ti(4), one Ti(5), three equivalent Ti(1), and three equivalent Ti(8) atoms. In the fourth Co site, Co(3) is bonded in a distorted body-centered cubic geometry to one Ti(1), one Ti(6), three equivalent Ti(2), and three equivalent Ti(5) atoms. Ni(1) is bonded in a 11-coordinate geometry to one Ti(2), one Ti(7), three equivalent Ti(3), three equivalent Ti(6), and three equivalent In(1) atoms. In(1) is bonded in a 14-coordinate geometry to one Ti(4), one Ti(6), three equivalent Ti(3), three equivalent Ti(7), three equivalent Co(1), and three equivalent Ni(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to one Ti(1), one Ti(7), three equivalent Ti(4), and three equivalent Ti(8) atoms. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to one Ti(2), one Ti(8), three equivalent Ti(1), and three equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a body-centered cubic geometry to one Ti(3), one Ti(5), three equivalent Ti(2), and three equivalent Ti(6) atoms.
Ti8Co3NiInSn3 is Heusler-derived structured and crystallizes in the trigonal R3m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to one Co(3), three equivalent Co(2), one Sn(1), and three equivalent Sn(2) atoms. The Ti(1)-Co(3) bond length is 2.68 Å. All Ti(1)-Co(2) bond lengths are 2.75 Å. The Ti(1)-Sn(1) bond length is 2.75 Å. All Ti(1)-Sn(2) bond lengths are 2.77 Å. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to three equivalent Co(3), one Ni(1), one Sn(2), and three equivalent Sn(3) atoms. All Ti(2)-Co(3) bond lengths are 2.82 Å. The Ti(2)-Ni(1) bond length is 3.17 Å. The Ti(2)-Sn(2) bond length is 2.80 Å. All Ti(2)-Sn(3) bond lengths are 2.76 Å. In the third Ti site, Ti(3) is bonded in a distorted body-centered cubic geometry to one Co(1), three equivalent Ni(1), three equivalent In(1), and one Sn(3) atom. The Ti(3)-Co(1) bond length is 2.65 Å. All Ti(3)-Ni(1) bond lengths are 2.66 Å. All Ti(3)-In(1) bond lengths are 2.76 Å. The Ti(3)-Sn(3) bond length is 2.76 Å. In the fourth Ti site, Ti(4) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(1), one In(1), and three equivalent Sn(1) atoms. The Ti(4)-Co(2) bond length is 2.86 Å. All Ti(4)-Co(1) bond lengths are 2.82 Å. The Ti(4)-In(1) bond length is 2.81 Å. All Ti(4)-Sn(1) bond lengths are 2.79 Å. In the fifth Ti site, Ti(5) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(3), one Sn(3), and three equivalent Sn(2) atoms. The Ti(5)-Co(2) bond length is 2.69 Å. All Ti(5)-Co(3) bond lengths are 2.75 Å. The Ti(5)-Sn(3) bond length is 2.78 Å. All Ti(5)-Sn(2) bond lengths are 2.77 Å. In the sixth Ti site, Ti(6) is bonded in a distorted body-centered cubic geometry to one Co(3), three equivalent Ni(1), one In(1), and three equivalent Sn(3) atoms. The Ti(6)-Co(3) bond length is 2.77 Å. All Ti(6)-Ni(1) bond lengths are 2.99 Å. The Ti(6)-In(1) bond length is 2.81 Å. All Ti(6)-Sn(3) bond lengths are 2.75 Å. In the seventh Ti site, Ti(7) is bonded in a distorted body-centered cubic geometry to three equivalent Co(1), one Ni(1), three equivalent In(1), and one Sn(1) atom. All Ti(7)-Co(1) bond lengths are 2.72 Å. The Ti(7)-Ni(1) bond length is 2.37 Å. All Ti(7)-In(1) bond lengths are 2.80 Å. The Ti(7)-Sn(1) bond length is 2.76 Å. In the eighth Ti site, Ti(8) is bonded in a body-centered cubic geometry to one Co(1), three equivalent Co(2), one Sn(2), and three equivalent Sn(1) atoms. The Ti(8)-Co(1) bond length is 2.88 Å. All Ti(8)-Co(2) bond lengths are 2.81 Å. The Ti(8)-Sn(2) bond length is 2.80 Å. All Ti(8)-Sn(1) bond lengths are 2.76 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(3), one Ti(8), three equivalent Ti(4), three equivalent Ti(7), and three equivalent In(1) atoms. The Co(1)-Ti(8) bond length is 2.88 Å. All Co(1)-Ti(4) bond lengths are 2.82 Å. All Co(1)-Ti(7) bond lengths are 2.72 Å. All Co(1)-In(1) bond lengths are 3.16 Å. In the second Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(3), one Ti(8), three equivalent Ti(4), three equivalent Ti(7), and three equivalent In(1) atoms. The Co(1)-Ti(3) bond length is 2.65 Å. All Co(1)-In(1) bond lengths are 3.16 Å. In the third Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Ti(4), one Ti(5), three equivalent Ti(1), and three equivalent Ti(8) atoms. In the fourth Co site, Co(3) is bonded in a distorted body-centered cubic geometry to one Ti(1), one Ti(6), three equivalent Ti(2), and three equivalent Ti(5) atoms. Ni(1) is bonded in a 11-coordinate geometry to one Ti(2), one Ti(7), three equivalent Ti(3), three equivalent Ti(6), and three equivalent In(1) atoms. All Ni(1)-In(1) bond lengths are 2.95 Å. In(1) is bonded in a 14-coordinate geometry to one Ti(4), one Ti(6), three equivalent Ti(3), three equivalent Ti(7), three equivalent Co(1), and three equivalent Ni(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to one Ti(1), one Ti(7), three equivalent Ti(4), and three equivalent Ti(8) atoms. In the second Sn site, Sn(2) is bonded in a body-centered cubic geometry to one Ti(2), one Ti(8), three equivalent Ti(1), and three equivalent Ti(5) atoms. In the third Sn site, Sn(3) is bonded in a body-centered cubic geometry to one Ti(3), one Ti(5), three equivalent Ti(2), and three equivalent Ti(6) atoms.