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Title: Materials Data on As2SO6 by Materials Project

Abstract

As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.

Publication Date:
Other Number(s):
mp-27230
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; As2SO6; As-O-S
OSTI Identifier:
1201433
DOI:
https://doi.org/10.17188/1201433

Citation Formats

The Materials Project. Materials Data on As2SO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201433.
The Materials Project. Materials Data on As2SO6 by Materials Project. United States. doi:https://doi.org/10.17188/1201433
The Materials Project. 2020. "Materials Data on As2SO6 by Materials Project". United States. doi:https://doi.org/10.17188/1201433. https://www.osti.gov/servlets/purl/1201433. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201433,
title = {Materials Data on As2SO6 by Materials Project},
author = {The Materials Project},
abstractNote = {As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.},
doi = {10.17188/1201433},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}