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Title: Materials Data on Cu(AsO2)2 by Materials Project

Abstract

CuAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu1+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.96 Å) and two longer (2.61 Å) Cu–O bond lengths. As+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.81 Å) and two longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu1+ and two equivalent As+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+ and one As+3.50+ atom.

Publication Date:
Other Number(s):
mp-22271
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; Cu(AsO2)2; As-Cu-O
OSTI Identifier:
1197497
DOI:
10.17188/1197497

Citation Formats

The Materials Project. Materials Data on Cu(AsO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197497.
The Materials Project. Materials Data on Cu(AsO2)2 by Materials Project. United States. doi:10.17188/1197497.
The Materials Project. 2020. "Materials Data on Cu(AsO2)2 by Materials Project". United States. doi:10.17188/1197497. https://www.osti.gov/servlets/purl/1197497. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1197497,
title = {Materials Data on Cu(AsO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu1+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.96 Å) and two longer (2.61 Å) Cu–O bond lengths. As+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.81 Å) and two longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu1+ and two equivalent As+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+ and one As+3.50+ atom.},
doi = {10.17188/1197497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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