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Title: Materials Data on Nd2Sn5 by Materials Project

Abstract

Nd2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Sn atoms to form a mixture of corner and face-sharing NdSn12 cuboctahedra. There are a spread of Nd–Sn bond distances ranging from 3.30–3.42 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 3.27–3.59 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four Nd and six Sn atoms. There are four shorter (3.30 Å) and two longer (3.32 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the third Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd atoms. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent Nd and four Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifthmore » Sn site, Sn is bonded in a 4-coordinate geometry to four Nd and six Sn atoms. In the sixth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.« less

Publication Date:
Other Number(s):
mp-1209854
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; Nd2Sn5; Nd-Sn
OSTI Identifier:
1652744
DOI:
https://doi.org/10.17188/1652744

Citation Formats

The Materials Project. Materials Data on Nd2Sn5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652744.
The Materials Project. Materials Data on Nd2Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1652744
The Materials Project. 2020. "Materials Data on Nd2Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1652744. https://www.osti.gov/servlets/purl/1652744. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1652744,
title = {Materials Data on Nd2Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Sn atoms to form a mixture of corner and face-sharing NdSn12 cuboctahedra. There are a spread of Nd–Sn bond distances ranging from 3.30–3.42 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 3.27–3.59 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four Nd and six Sn atoms. There are four shorter (3.30 Å) and two longer (3.32 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the third Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd atoms. In the fourth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four equivalent Nd and four Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four Nd and six Sn atoms. In the sixth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.},
doi = {10.17188/1652744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}