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Title: Materials Data on KVSO6 by Materials Project

Abstract

KVSO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.44 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.09 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one V5+, and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one V5+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one V5+ atom. In the sixth O2- site, O2- is bonded inmore » a distorted single-bond geometry to one K1+ and one S6+ atom.« less

Publication Date:
Other Number(s):
mp-566353
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; KVSO6; K-O-S-V
OSTI Identifier:
1273383
DOI:
10.17188/1273383

Citation Formats

The Materials Project. Materials Data on KVSO6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1273383.
The Materials Project. Materials Data on KVSO6 by Materials Project. United States. doi:10.17188/1273383.
The Materials Project. 2017. "Materials Data on KVSO6 by Materials Project". United States. doi:10.17188/1273383. https://www.osti.gov/servlets/purl/1273383. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1273383,
title = {Materials Data on KVSO6 by Materials Project},
author = {The Materials Project},
abstractNote = {KVSO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.44 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.09 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one V5+, and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one V5+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom.},
doi = {10.17188/1273383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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