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Title: Materials Data on Nd2Sn4Ru by Materials Project

Abstract

Nd2RuSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to one Ru and ten Sn atoms. The Nd–Ru bond length is 3.37 Å. There are a spread of Nd–Sn bond distances ranging from 3.26–3.37 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ru and ten Sn atoms. All Nd–Ru bond lengths are 3.71 Å. There are a spread of Nd–Sn bond distances ranging from 3.46–3.80 Å. Ru is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.57–2.61 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ru, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms. In the fourth Snmore » site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1220534
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd2Sn4Ru; Nd-Ru-Sn
OSTI Identifier:
1705815
DOI:
https://doi.org/10.17188/1705815

Citation Formats

The Materials Project. Materials Data on Nd2Sn4Ru by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705815.
The Materials Project. Materials Data on Nd2Sn4Ru by Materials Project. United States. doi:https://doi.org/10.17188/1705815
The Materials Project. 2019. "Materials Data on Nd2Sn4Ru by Materials Project". United States. doi:https://doi.org/10.17188/1705815. https://www.osti.gov/servlets/purl/1705815. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705815,
title = {Materials Data on Nd2Sn4Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2RuSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to one Ru and ten Sn atoms. The Nd–Ru bond length is 3.37 Å. There are a spread of Nd–Sn bond distances ranging from 3.26–3.37 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ru and ten Sn atoms. All Nd–Ru bond lengths are 3.71 Å. There are a spread of Nd–Sn bond distances ranging from 3.46–3.80 Å. Ru is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.57–2.61 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ru, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms.},
doi = {10.17188/1705815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}