Materials Data on Tb2NiGe4 by Materials Project

Abstract

Tb2NiGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.02–3.23 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Tb–Ni bond lengths are 3.19 Å. There are a spread of Tb–Ge bond distances ranging from 3.05–3.26 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.38 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Tb and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Tb, two equivalent Ni, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.89 Å. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Tb, two equivalent Ni, and four equivalent Ge atoms.