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Title: Materials Data on K2V8O21 by Materials Project

Abstract

K2V8O21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.01 Å. There are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.42 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.25 Å. In the third V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.02 Å. In the fourth V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–1.98 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V5+ atoms. In the third O2- site, O2-more » is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. 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 bent 120 degrees geometry to two equivalent K1+ and two V5+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one V5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two equivalent V5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four V5+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one V5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-641959
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; K2V8O21; K-O-V
OSTI Identifier:
1280078
DOI:
10.17188/1280078

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2V8O21 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280078.
Persson, Kristin, & Project, Materials. Materials Data on K2V8O21 by Materials Project. United States. doi:10.17188/1280078.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on K2V8O21 by Materials Project". United States. doi:10.17188/1280078. https://www.osti.gov/servlets/purl/1280078. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1280078,
title = {Materials Data on K2V8O21 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2V8O21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.01 Å. There are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.42 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.25 Å. In the third V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.02 Å. In the fourth V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–1.98 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. 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 bent 120 degrees geometry to two equivalent K1+ and two V5+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one V5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two equivalent V5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four V5+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one V5+ atom.},
doi = {10.17188/1280078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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