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Title: Materials Data on Nd4Sn8Ir by Materials Project

Abstract

Nd4IrSn8 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 3.27–3.58 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 3.26–3.43 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Sn atoms. All Nd–Ir bond lengths are 3.51 Å. There are a spread of Nd–Sn bond distances ranging from 3.40–3.82 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 3.28–3.59 Å. Ir is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.58–2.65 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. All Sn–Sn bondmore » lengths are 3.20 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ir, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.96 Å. In the sixth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.05 Å. In the seventh Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the eighth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms.« less

Publication Date:
Other Number(s):
mp-1220633
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd4Sn8Ir; Ir-Nd-Sn
OSTI Identifier:
1724905
DOI:
https://doi.org/10.17188/1724905

Citation Formats

The Materials Project. Materials Data on Nd4Sn8Ir by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724905.
The Materials Project. Materials Data on Nd4Sn8Ir by Materials Project. United States. doi:https://doi.org/10.17188/1724905
The Materials Project. 2019. "Materials Data on Nd4Sn8Ir by Materials Project". United States. doi:https://doi.org/10.17188/1724905. https://www.osti.gov/servlets/purl/1724905. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1724905,
title = {Materials Data on Nd4Sn8Ir by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4IrSn8 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 3.27–3.58 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 3.26–3.43 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Sn atoms. All Nd–Ir bond lengths are 3.51 Å. There are a spread of Nd–Sn bond distances ranging from 3.40–3.82 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 3.28–3.59 Å. Ir is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.58–2.65 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ir, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.96 Å. In the sixth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.05 Å. In the seventh Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the eighth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms.},
doi = {10.17188/1724905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}