Materials Data on ThNi by Materials Project

Abstract

ThNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.91–3.05 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.91–3.06 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Th and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Th and two equivalent Ni atoms.