Materials Data on Th7Ni3 by Materials Project

Abstract

Th7Ni3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All Th–Ni bond lengths are 2.99 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Ni atoms. Both Th–Ni bond lengths are 2.86 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are two shorter (2.84 Å) and one longer (2.88 Å) Th–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Th atoms.