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Title: Materials Data on Nd2Sn3 by Materials Project

Abstract

Nd2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.77 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.59 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.13–3.62 Å. In the fourth Nd site, Nd is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.26–3.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Nd and two Sn atoms. There are one shorter (2.97 Å) and one longer (3.20 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two Sn atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Sn–Snmore » bond lengths. In the third Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms. There are one shorter (2.96 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to seven Nd and three Sn atoms. There are one shorter (3.09 Å) and one longer (3.32 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Nd and three Sn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30290
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; Nd2Sn3; Nd-Sn
OSTI Identifier:
1204714
DOI:
https://doi.org/10.17188/1204714

Citation Formats

The Materials Project. Materials Data on Nd2Sn3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1204714.
The Materials Project. Materials Data on Nd2Sn3 by Materials Project. United States. doi:https://doi.org/10.17188/1204714
The Materials Project. 2019. "Materials Data on Nd2Sn3 by Materials Project". United States. doi:https://doi.org/10.17188/1204714. https://www.osti.gov/servlets/purl/1204714. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1204714,
title = {Materials Data on Nd2Sn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.77 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.59 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.13–3.62 Å. In the fourth Nd site, Nd is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.26–3.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Nd and two Sn atoms. There are one shorter (2.97 Å) and one longer (3.20 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two Sn atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms. There are one shorter (2.96 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to seven Nd and three Sn atoms. There are one shorter (3.09 Å) and one longer (3.32 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Nd and three Sn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms.},
doi = {10.17188/1204714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}