Materials Data on Nd4FeSn8 by Materials Project
Nd4FeSn8 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 ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.27–3.55 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.25–3.40 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Fe and ten Sn atoms. All Nd–Fe bond lengths are 3.55 Å. There are a spread of Nd–Sn bond distances ranging from 3.36–3.74 Å. In the fourth Nd site, Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.27–3.55 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Nd and five Sn atoms. There are a spread of Fe–Sn bond distances ranging from 2.51–2.55 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Fe, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to four Nd, two equivalent Fe, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.21 Å. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.21 Å. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to four Nd, two equivalent Fe, and four equivalent Sn atoms. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn 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:
- 1727112
- Report Number(s):
- mp-1221109
- Country of Publication:
- United States
- Language:
- English
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