skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbVBr3 by Materials Project

Abstract

RbVBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.76–4.22 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent Br1- atoms to form face-sharing VBr6 octahedra. All V–Br bond lengths are 2.65 Å. In the second V2+ site, V2+ is bonded to six equivalent Br1- atoms to form face-sharing VBr6 octahedra. There are three shorter (2.64 Å) and three longer (2.65 Å) V–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.

Publication Date:
Other Number(s):
mp-29314
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; RbVBr3; Br-Rb-V
OSTI Identifier:
1203681
DOI:
10.17188/1203681

Citation Formats

The Materials Project. Materials Data on RbVBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203681.
The Materials Project. Materials Data on RbVBr3 by Materials Project. United States. doi:10.17188/1203681.
The Materials Project. 2020. "Materials Data on RbVBr3 by Materials Project". United States. doi:10.17188/1203681. https://www.osti.gov/servlets/purl/1203681. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203681,
title = {Materials Data on RbVBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbVBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.76–4.22 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent Br1- atoms to form face-sharing VBr6 octahedra. All V–Br bond lengths are 2.65 Å. In the second V2+ site, V2+ is bonded to six equivalent Br1- atoms to form face-sharing VBr6 octahedra. There are three shorter (2.64 Å) and three longer (2.65 Å) V–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.},
doi = {10.17188/1203681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: