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Title: Materials Data on As2O3 by Materials Project

Abstract

As2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2O3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.82–1.84 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two As3+ atoms.

Publication Date:
Other Number(s):
mp-1582
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; As2O3; As-O
OSTI Identifier:
1191401
DOI:
10.17188/1191401

Citation Formats

The Materials Project. Materials Data on As2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191401.
The Materials Project. Materials Data on As2O3 by Materials Project. United States. doi:10.17188/1191401.
The Materials Project. 2020. "Materials Data on As2O3 by Materials Project". United States. doi:10.17188/1191401. https://www.osti.gov/servlets/purl/1191401. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191401,
title = {Materials Data on As2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {As2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2O3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.82–1.84 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two As3+ atoms.},
doi = {10.17188/1191401},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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