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Title: Materials Data on Cu5Sn4 by Materials Project

Abstract

Cu5Sn4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six Sn atoms. There are two shorter (2.59 Å) and two longer (2.64 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.68–2.96 Å. In the second Cu site, Cu is bonded in a distorted q6 geometry to four Cu and six Sn atoms. There are one shorter (2.55 Å) and two longer (2.76 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.74–2.91 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. There are one shorter (2.59 Å) and one longer (2.62 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.70–2.82 Å. In the fourth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. The Cu–Cu bond length is 2.66 Å. There are a spread of Cu–Sn bond distances ranging from 2.72–2.85 Å. In the fifth Cu site, Cumore » is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.63–2.79 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight Cu atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms.« less

Publication Date:
Other Number(s):
mp-845
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; Cu5Sn4; Cu-Sn
OSTI Identifier:
1308108
DOI:
https://doi.org/10.17188/1308108

Citation Formats

The Materials Project. Materials Data on Cu5Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308108.
The Materials Project. Materials Data on Cu5Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1308108
The Materials Project. 2020. "Materials Data on Cu5Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1308108. https://www.osti.gov/servlets/purl/1308108. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1308108,
title = {Materials Data on Cu5Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu5Sn4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six Sn atoms. There are two shorter (2.59 Å) and two longer (2.64 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.68–2.96 Å. In the second Cu site, Cu is bonded in a distorted q6 geometry to four Cu and six Sn atoms. There are one shorter (2.55 Å) and two longer (2.76 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.74–2.91 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. There are one shorter (2.59 Å) and one longer (2.62 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.70–2.82 Å. In the fourth Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. The Cu–Cu bond length is 2.66 Å. There are a spread of Cu–Sn bond distances ranging from 2.72–2.85 Å. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.63–2.79 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight Cu atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms.},
doi = {10.17188/1308108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}