Materials Data on Nd4Co3Ge8 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1710920· OSTI ID:1710920

Nd4Co3Ge8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All Nd–Co bond lengths are 3.29 Å. There are a spread of Nd–Ge bond distances ranging from 3.14–3.27 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Nd–Co bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.16–3.35 Å. In the third Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.12–3.34 Å. In the fourth Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Nd–Co bond lengths are 3.24 Å. There are a spread of Nd–Ge bond distances ranging from 3.16–3.32 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.28–2.40 Å. In the second Co site, Co is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.33–2.39 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.30–2.40 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Nd and two equivalent Co atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Co atoms. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Nd and two equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Co atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the sixth Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the seventh Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Co, and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Co, and two equivalent Ge atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1710920
• Report Number(s): mp-1220267
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Nd
Nd4Co3Ge8
crystal structure