Materials Data on Ti4In2CoNi by Materials Project

Abstract

Ti4CoNiIn2 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four equivalent In atoms. The Ti–Co bond length is 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. There are three shorter (2.78 Å) and one longer (2.79 Å) Ti–In bond lengths. In the second Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four equivalent In atoms. All Ti–Co bond lengths are 2.78 Å. The Ti–Ni bond length is 2.78 Å. All Ti–In 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 equivalent In atoms. All Ti–Co bond lengths are 2.78 Å. The Ti–Ni bond length is 2.78 Å. All Ti–In bond lengths are 2.78 Å. In the fourth Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four equivalent In atoms. All Ti–Co bond lengths are 2.78 Å. The Ti–Ni bond length is 2.78 Å. All Ti–In bond lengths are 2.78 Å. 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. In is bonded in a body-centered cubic geometry to eight Ti atoms.