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Title: Materials Data on KVO4 by Materials Project

Abstract

KVO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.44 Å. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent K and one V atom. In the second O site, O is bonded in a single-bond geometry to two equivalent K and one V atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent V atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K atoms.

Publication Date:
Other Number(s):
mp-1180691
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; KVO4; K-O-V
OSTI Identifier:
1710053
DOI:
https://doi.org/10.17188/1710053

Citation Formats

The Materials Project. Materials Data on KVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710053.
The Materials Project. Materials Data on KVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1710053
The Materials Project. 2020. "Materials Data on KVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1710053. https://www.osti.gov/servlets/purl/1710053. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710053,
title = {Materials Data on KVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {KVO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.44 Å. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent K and one V atom. In the second O site, O is bonded in a single-bond geometry to two equivalent K and one V atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent V atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K atoms.},
doi = {10.17188/1710053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}