Materials Data on ThInNi by Materials Project

Abstract

ThNiIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (3.04 Å) and one longer (3.08 Å) Th–Ni bond lengths. There are two shorter (3.25 Å) and four longer (3.38 Å) Th–In bond lengths. In the second Th site, Th is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are a spread of Th–Ni bond distances ranging from 3.03–3.07 Å. There are a spread of Th–In bond distances ranging from 3.25–3.39 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Th and three In atoms. There are one shorter (2.84 Å) and two longer (2.85 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Th and six In atoms. All Ni–In bond lengths are 2.75 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to six Th, four Ni, and two equivalent In atoms. Both In–In bond lengths are 3.15 Å. In the second In site, In is bonded in a 12-coordinate geometry to six Th, four Ni, and two In atoms. The In–In bond length is 3.14 Å.