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Title: Materials Data on Cu7Si2 by Materials Project

Abstract

Cu7Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Cu+1.14+ sites. In the first Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are three shorter (2.37 Å) and one longer (2.63 Å) Cu–Si bond lengths. In the second Cu+1.14+ site, Cu+1.14+ is bonded to three equivalent Cu+1.14+ and one Si4- atom to form corner-sharing CuCu3Si trigonal pyramids. All Cu–Cu bond lengths are 2.36 Å. The Cu–Si bond length is 2.37 Å. In the third Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to two Cu+1.14+ and three equivalent Si4- atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.58 Å. In the fourth Cu+1.14+ site, Cu+1.14+ is bonded in a 8-coordinate geometry to two equivalent Cu+1.14+ and six equivalent Si4- atoms. All Cu–Si bond lengths are 2.77 Å. Si4- is bonded in a 11-coordinate geometry to eleven Cu+1.14+ atoms.

Publication Date:
Other Number(s):
mp-1206157
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; Cu7Si2; Cu-Si
OSTI Identifier:
1759430
DOI:
https://doi.org/10.17188/1759430

Citation Formats

The Materials Project. Materials Data on Cu7Si2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759430.
The Materials Project. Materials Data on Cu7Si2 by Materials Project. United States. doi:https://doi.org/10.17188/1759430
The Materials Project. 2020. "Materials Data on Cu7Si2 by Materials Project". United States. doi:https://doi.org/10.17188/1759430. https://www.osti.gov/servlets/purl/1759430. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759430,
title = {Materials Data on Cu7Si2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu7Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Cu+1.14+ sites. In the first Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are three shorter (2.37 Å) and one longer (2.63 Å) Cu–Si bond lengths. In the second Cu+1.14+ site, Cu+1.14+ is bonded to three equivalent Cu+1.14+ and one Si4- atom to form corner-sharing CuCu3Si trigonal pyramids. All Cu–Cu bond lengths are 2.36 Å. The Cu–Si bond length is 2.37 Å. In the third Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to two Cu+1.14+ and three equivalent Si4- atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.58 Å. In the fourth Cu+1.14+ site, Cu+1.14+ is bonded in a 8-coordinate geometry to two equivalent Cu+1.14+ and six equivalent Si4- atoms. All Cu–Si bond lengths are 2.77 Å. Si4- is bonded in a 11-coordinate geometry to eleven Cu+1.14+ atoms.},
doi = {10.17188/1759430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}