U.S. Department of EnergyOffice of Scientific and Technical Information
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 to six Cu and six equivalent Sn atoms to form CuCu6Sn6 cuboctahedra that share corners with twelve CuCu8Sn4 cuboctahedra, edges with six CuCu8Sn4 cuboctahedra, and faces with fourteen CuCu6Sn6 cuboctahedra. There are three shorter (2.61 Å) and three longer (2.62 Å) Cu–Cu bond lengths. There are three shorter (2.96 Å) and three longer (2.99 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–2.72 Å. All Cu–Sn bond lengths are 2.79 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are three shorter (2.57 Å) and four longer (2.58 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.80 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to eight Cu and three equivalent Sn atoms. All Cu–Cu bond lengths are 2.60 Å.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-30597
- 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; Cu10Sn3; Cu-Sn
- OSTI Identifier:
- 1204984
- DOI:
- https://doi.org/10.17188/1204984
Citation Formats
The Materials Project. Materials Data on Cu10Sn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204984.
The Materials Project. Materials Data on Cu10Sn3 by Materials Project. United States. doi:https://doi.org/10.17188/1204984
The Materials Project. 2020.
"Materials Data on Cu10Sn3 by Materials Project". United States. doi:https://doi.org/10.17188/1204984. https://www.osti.gov/servlets/purl/1204984. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204984,
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 to six Cu and six equivalent Sn atoms to form CuCu6Sn6 cuboctahedra that share corners with twelve CuCu8Sn4 cuboctahedra, edges with six CuCu8Sn4 cuboctahedra, and faces with fourteen CuCu6Sn6 cuboctahedra. There are three shorter (2.61 Å) and three longer (2.62 Å) Cu–Cu bond lengths. There are three shorter (2.96 Å) and three longer (2.99 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–2.72 Å. All Cu–Sn bond lengths are 2.79 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are three shorter (2.57 Å) and four longer (2.58 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.80 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to eight Cu and three equivalent Sn atoms. All Cu–Cu bond lengths are 2.60 Å. All Cu–Sn bond lengths are 2.69 Å. In the fifth Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.62–2.86 Å. There are a spread of Cu–Sn bond distances ranging from 2.64–2.92 Å. In the sixth Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing CuCu8Sn4 cuboctahedra. There are a spread of Cu–Sn bond distances ranging from 2.64–2.92 Å. Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms.},
doi = {10.17188/1204984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}