Materials Data on Nd6Co5Ge2 by Materials Project

Abstract

Nd6Co5Ge2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 7-coordinate geometry to six Co and one Ge atom. There are two shorter (2.89 Å) and four longer (3.06 Å) Nd–Co bond lengths. The Nd–Ge bond length is 3.13 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Co and two Ge atoms. There are a spread of Nd–Co bond distances ranging from 2.96–3.04 Å. There are one shorter (3.15 Å) and one longer (3.30 Å) Nd–Ge bond lengths. In the third Nd site, Nd is bonded in a 5-coordinate geometry to three Co and two equivalent Ge atoms. There are one shorter (2.71 Å) and two longer (2.83 Å) Nd–Co bond lengths. Both Nd–Ge bond lengths are 3.19 Å. In the fourth Nd site, Nd is bonded in a 7-coordinate geometry to three Co and four Ge atoms. There are a spread of Nd–Co bond distances ranging from 2.72–2.90 Å. There are two shorter (3.22 Å) and two longer (3.29 Å) Nd–Ge bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to three Nd, one Co, and two equivalent Ge atoms. The Co–Co bond length is 2.71 Å. Both Co–Ge bond lengths are 2.41 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to six Nd, two Co, and two equivalent Ge atoms. The Co–Co bond length is 2.29 Å. Both Co–Ge bond lengths are 2.56 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six Nd and one Co atom. The Co–Co bond length is 2.31 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to six Nd and three Co atoms. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Nd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Nd and four Co atoms.