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Title: Materials Data on KV4O10 by Materials Project

Abstract

KV4O10 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two KV4O10 sheets oriented in the (0, 0, 1) direction. K1+ is bonded to six O2- atoms to form distorted edge-sharing KO6 pentagonal pyramids. There are four shorter (2.72 Å) and two longer (2.82 Å) K–O bond lengths. There are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one V+4.75+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V+4.75+ atom. In themore » fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms.« less

Publication Date:
Other Number(s):
mp-767780
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; KV4O10; K-O-V
OSTI Identifier:
1297882
DOI:
10.17188/1297882

Citation Formats

The Materials Project. Materials Data on KV4O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297882.
The Materials Project. Materials Data on KV4O10 by Materials Project. United States. doi:10.17188/1297882.
The Materials Project. 2020. "Materials Data on KV4O10 by Materials Project". United States. doi:10.17188/1297882. https://www.osti.gov/servlets/purl/1297882. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1297882,
title = {Materials Data on KV4O10 by Materials Project},
author = {The Materials Project},
abstractNote = {KV4O10 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two KV4O10 sheets oriented in the (0, 0, 1) direction. K1+ is bonded to six O2- atoms to form distorted edge-sharing KO6 pentagonal pyramids. There are four shorter (2.72 Å) and two longer (2.82 Å) K–O bond lengths. There are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one V+4.75+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V+4.75+ atom. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms.},
doi = {10.17188/1297882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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