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Title: Materials Data on NaVTeO5 by Materials Project

Abstract

NaVTeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.86 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.85 Å. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one V5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one V5+ atom.

Publication Date:
Other Number(s):
mp-18897
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; NaVTeO5; Na-O-Te-V
OSTI Identifier:
1193599
DOI:
https://doi.org/10.17188/1193599

Citation Formats

The Materials Project. Materials Data on NaVTeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193599.
The Materials Project. Materials Data on NaVTeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1193599
The Materials Project. 2020. "Materials Data on NaVTeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1193599. https://www.osti.gov/servlets/purl/1193599. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1193599,
title = {Materials Data on NaVTeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaVTeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.86 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.85 Å. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one V5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one V5+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one V5+ atom.},
doi = {10.17188/1193599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}