U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on As2O3 by Materials Project
Abstract
As2O3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two As2O3 sheets oriented in the (0, 0, 1) direction. In one of the As2O3 sheets, 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 is two shorter (1.82 Å) and one longer (1.84 Å) As–O bond length. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.82–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As3+ atoms. In one of the As2O3 sheets, 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 frommore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105118
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; As2O3; As-O
- OSTI Identifier:
- 1707979
- DOI:
- https://doi.org/10.17188/1707979
Citation Formats
The Materials Project. Materials Data on As2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707979.
The Materials Project. Materials Data on As2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1707979
The Materials Project. 2020.
"Materials Data on As2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1707979. https://www.osti.gov/servlets/purl/1707979. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707979,
title = {Materials Data on As2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {As2O3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two As2O3 sheets oriented in the (0, 0, 1) direction. In one of the As2O3 sheets, 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 is two shorter (1.82 Å) and one longer (1.84 Å) As–O bond length. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.82–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As3+ atoms. In one of the As2O3 sheets, 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 1.81–1.85 Å. In the second 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 1.81–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent 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 bent 120 degrees geometry to two equivalent As3+ atoms.},
doi = {10.17188/1707979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}