Materials Data on Ti8Co3NiSn4 by Materials Project

Abstract

Ti8Co3NiSn4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four Co and four Sn atoms. All Ti–Co bond lengths are 2.78 Å. There are three shorter (2.78 Å) and one longer (2.79 Å) Ti–Sn bond lengths. In the second Ti site, Ti is bonded in a body-centered cubic geometry to four Co and four equivalent Sn atoms. All Ti–Co bond lengths are 2.78 Å. All Ti–Sn bond lengths are 2.78 Å. In the third Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four Sn atoms. All Ti–Co bond lengths are 2.78 Å. The Ti–Ni bond length is 2.79 Å. All Ti–Sn bond lengths are 2.78 Å. In the fourth Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four equivalent Sn atoms. The Ti–Co bond length is 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. All Ti–Sn bond lengths are 2.78 Å. In the fifth Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four equivalent Sn atoms. The Ti–Co bond length is 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. All Ti–Sn bond lengths are 2.78 Å. In the sixth Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four equivalent Sn atoms. The Ti–Co bond length is 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. All Ti–Sn bond lengths are 2.78 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ti atoms. Ni is bonded in a body-centered cubic geometry to eight Ti atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Ti atoms.