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Title: Materials Data on Cu10Sn3 by Materials Project

Abstract

Cu10Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.58–2.74 Å. All Cu–Sn bond lengths are 2.80 Å. In the second Cu site, Cu is bonded to eight Cu and four Sn atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with ten CuCu6Sn6 cuboctahedra, edges with nine CuCu8Sn4 cuboctahedra, and faces with twelve CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.86 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.92 Å. In the third Cu site, Cu is bonded to six Cu and six Sn atoms to form a mixture of edge, face, and corner-sharing CuCu6Sn6 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. There are three shorter (2.95 Å) and three longer (3.04 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to eight Cu and three Sn atoms. There are one shorter (2.59 Å) and threemore » longer (2.62 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.69 Å. In the fifth Cu site, Cu is bonded to eight Cu and four Sn atoms to form a mixture of distorted edge, face, and corner-sharing CuCu8Sn4 cuboctahedra. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.93 Å. In the sixth Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three Sn atoms. All Cu–Sn bond lengths are 2.80 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms.« less

Publication Date:
Other Number(s):
mp-568495
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; Cu10Sn3; Cu-Sn
OSTI Identifier:
1274462
DOI:
10.17188/1274462

Citation Formats

The Materials Project. Materials Data on Cu10Sn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274462.
The Materials Project. Materials Data on Cu10Sn3 by Materials Project. United States. doi:10.17188/1274462.
The Materials Project. 2020. "Materials Data on Cu10Sn3 by Materials Project". United States. doi:10.17188/1274462. https://www.osti.gov/servlets/purl/1274462. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1274462,
title = {Materials Data on Cu10Sn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu10Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.58–2.74 Å. All Cu–Sn bond lengths are 2.80 Å. In the second Cu site, Cu is bonded to eight Cu and four Sn atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with ten CuCu6Sn6 cuboctahedra, edges with nine CuCu8Sn4 cuboctahedra, and faces with twelve CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.86 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.92 Å. In the third Cu site, Cu is bonded to six Cu and six Sn atoms to form a mixture of edge, face, and corner-sharing CuCu6Sn6 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. There are three shorter (2.95 Å) and three longer (3.04 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to eight Cu and three Sn atoms. There are one shorter (2.59 Å) and three longer (2.62 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.69 Å. In the fifth Cu site, Cu is bonded to eight Cu and four Sn atoms to form a mixture of distorted edge, face, and corner-sharing CuCu8Sn4 cuboctahedra. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.93 Å. In the sixth Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three Sn atoms. All Cu–Sn bond lengths are 2.80 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms.},
doi = {10.17188/1274462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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