Materials Data on Tb5Bi3 by Materials Project

Abstract

Tb5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.11–3.56 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.15–3.54 Å. In the third Tb site, Tb is bonded to five Bi atoms to form distorted edge-sharing TbBi5 square pyramids. There are a spread of Tb–Bi bond distances ranging from 3.19–3.27 Å. In the fourth Tb site, Tb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.08–3.39 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Tb atoms.