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Title: Materials Data on Cu3As4 by Materials Project

Abstract

Cu3As4 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Cu3As4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded in a 4-coordinate geometry to four As1- atoms. There are two shorter (2.44 Å) and two longer (2.51 Å) Cu–As bond lengths. In the second Cu+1.33+ site, Cu+1.33+ is bonded in a 6-coordinate geometry to six As1- atoms. There are two shorter (2.45 Å) and four longer (2.52 Å) Cu–As bond lengths. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a 4-coordinate geometry to four Cu+1.33+ atoms. In the second As1- site, As1- is bonded in a 4-coordinate geometry to four equivalent Cu+1.33+ atoms. In the third As1- site, As1- is bonded in a distorted L-shaped geometry to two equivalent Cu+1.33+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1279367
Report Number(s):
mp-633403
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cu3As4; As-Cu

Citation Formats

The Materials Project. Materials Data on Cu3As4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279367.
The Materials Project. Materials Data on Cu3As4 by Materials Project. United States. https://doi.org/10.17188/1279367
The Materials Project. 2020. "Materials Data on Cu3As4 by Materials Project". United States. https://doi.org/10.17188/1279367. https://www.osti.gov/servlets/purl/1279367.
@article{osti_1279367,
title = {Materials Data on Cu3As4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3As4 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Cu3As4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded in a 4-coordinate geometry to four As1- atoms. There are two shorter (2.44 Å) and two longer (2.51 Å) Cu–As bond lengths. In the second Cu+1.33+ site, Cu+1.33+ is bonded in a 6-coordinate geometry to six As1- atoms. There are two shorter (2.45 Å) and four longer (2.52 Å) Cu–As bond lengths. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a 4-coordinate geometry to four Cu+1.33+ atoms. In the second As1- site, As1- is bonded in a 4-coordinate geometry to four equivalent Cu+1.33+ atoms. In the third As1- site, As1- is bonded in a distorted L-shaped geometry to two equivalent Cu+1.33+ atoms.},
doi = {10.17188/1279367},
url = {https://www.osti.gov/biblio/1279367}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}