Materials Data on Th3In13Ni4 by Materials Project

Abstract

Th3Ni4In13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ni and twelve equivalent In atoms. All Th–Ni bond lengths are 3.41 Å. There are four shorter (3.37 Å) and eight longer (3.41 Å) Th–In bond lengths. Ni is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent In atoms. All Ni–In bond lengths are 2.63 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Ni, and one In atom. The In–In bond length is 3.30 Å. In the second In site, In is bonded in a cuboctahedral geometry to twelve equivalent In atoms.