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Title: Materials Data on RbVI3 by Materials Project

Abstract

RbVI3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.99–4.10 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) V–I bond lengths. In the second V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.84 Å) and three longer (2.86 Å) V–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms.

Publication Date:
Other Number(s):
mp-672346
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; RbVI3; I-Rb-V
OSTI Identifier:
1281857
DOI:
10.17188/1281857

Citation Formats

The Materials Project. Materials Data on RbVI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281857.
The Materials Project. Materials Data on RbVI3 by Materials Project. United States. doi:10.17188/1281857.
The Materials Project. 2020. "Materials Data on RbVI3 by Materials Project". United States. doi:10.17188/1281857. https://www.osti.gov/servlets/purl/1281857. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281857,
title = {Materials Data on RbVI3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbVI3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.99–4.10 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) V–I bond lengths. In the second V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.84 Å) and three longer (2.86 Å) V–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms.},
doi = {10.17188/1281857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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