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Title: Materials Data on CuAsSe2 by Materials Project

Abstract

CuAsSe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent AsSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. As3+ is bonded to four equivalent Se2- atoms to form AsSe4 tetrahedra that share corners with four equivalent AsSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All As–Se bond lengths are 2.64 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent As3+ atoms to form corner-sharing SeCu2As2 tetrahedra.

Publication Date:
Other Number(s):
mp-1225674
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; CuAsSe2; As-Cu-Se
OSTI Identifier:
1676994
DOI:
https://doi.org/10.17188/1676994

Citation Formats

The Materials Project. Materials Data on CuAsSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676994.
The Materials Project. Materials Data on CuAsSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1676994
The Materials Project. 2020. "Materials Data on CuAsSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1676994. https://www.osti.gov/servlets/purl/1676994. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1676994,
title = {Materials Data on CuAsSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuAsSe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent AsSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. As3+ is bonded to four equivalent Se2- atoms to form AsSe4 tetrahedra that share corners with four equivalent AsSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All As–Se bond lengths are 2.64 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent As3+ atoms to form corner-sharing SeCu2As2 tetrahedra.},
doi = {10.17188/1676994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}