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Title: Materials Data on VAs2H4O9 by Materials Project

Abstract

VAs2H4O9 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of two VAs2H4O9 sheets oriented in the (0, 0, 1) direction. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one As5+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-735567
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; VAs2H4O9; As-H-O-V
OSTI Identifier:
1287824
DOI:
10.17188/1287824

Citation Formats

The Materials Project. Materials Data on VAs2H4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287824.
The Materials Project. Materials Data on VAs2H4O9 by Materials Project. United States. doi:10.17188/1287824.
The Materials Project. 2020. "Materials Data on VAs2H4O9 by Materials Project". United States. doi:10.17188/1287824. https://www.osti.gov/servlets/purl/1287824. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287824,
title = {Materials Data on VAs2H4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {VAs2H4O9 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of two VAs2H4O9 sheets oriented in the (0, 0, 1) direction. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one As5+ and one H1+ atom.},
doi = {10.17188/1287824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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