Materials Data on TiNi by Materials Project

Abstract

NiTi is beta-prime cadmium gold structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.52–3.05 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to seven Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.56–2.67 Å. In the third Ti site, Ti is bonded in a 12-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–3.06 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to eight Ti and four Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.68–2.74 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to eight Ti and four Ni atoms. There are one shorter (2.62 Å) and three longer (2.74 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to seven Ti and two Ni atoms.