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Title: Materials Data on Rb2NbCl6 by Materials Project

Abstract

Rb2NbCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent NbCl6 octahedra. All Rb–Cl bond lengths are 3.68 Å. Nb4+ is bonded to six equivalent Cl1- atoms to form NbCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All Nb–Cl bond lengths are 2.44 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Nb4+ atom.

Publication Date:
Other Number(s):
mp-571513
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; Rb2NbCl6; Cl-Nb-Rb
OSTI Identifier:
1276297
DOI:
10.17188/1276297

Citation Formats

The Materials Project. Materials Data on Rb2NbCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276297.
The Materials Project. Materials Data on Rb2NbCl6 by Materials Project. United States. doi:10.17188/1276297.
The Materials Project. 2020. "Materials Data on Rb2NbCl6 by Materials Project". United States. doi:10.17188/1276297. https://www.osti.gov/servlets/purl/1276297. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276297,
title = {Materials Data on Rb2NbCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NbCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent NbCl6 octahedra. All Rb–Cl bond lengths are 3.68 Å. Nb4+ is bonded to six equivalent Cl1- atoms to form NbCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All Nb–Cl bond lengths are 2.44 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Nb4+ atom.},
doi = {10.17188/1276297},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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