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Title: Materials Data on Rb3V5O14 by Materials Project

Abstract

Rb3V5O14 crystallizes in the trigonal P31m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.36 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.64–1.95 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is one shorter (1.66 Å) and three longer (1.77 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two V5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in amore » distorted single-bond geometry to three equivalent Rb1+ and one V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1190911
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3V5O14; O-Rb-V
OSTI Identifier:
1749383
DOI:
https://doi.org/10.17188/1749383

Citation Formats

The Materials Project. Materials Data on Rb3V5O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749383.
The Materials Project. Materials Data on Rb3V5O14 by Materials Project. United States. doi:https://doi.org/10.17188/1749383
The Materials Project. 2020. "Materials Data on Rb3V5O14 by Materials Project". United States. doi:https://doi.org/10.17188/1749383. https://www.osti.gov/servlets/purl/1749383. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749383,
title = {Materials Data on Rb3V5O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3V5O14 crystallizes in the trigonal P31m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.36 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.64–1.95 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is one shorter (1.66 Å) and three longer (1.77 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two V5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one V5+ atom.},
doi = {10.17188/1749383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}