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

Title: Materials Data on Rb3NbF12 by Materials Project

Abstract

Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four fluorine-19 molecules and one Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.90 Å) and four longer (3.03 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four F atoms. There are two shorter (2.64 Å) and two longer (2.82 Å) Rb–F bond lengths. Nb is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.05 Å) and four longer (2.08 Å) Nb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one Nb atom. In the second F site, F is bonded in a 1-coordinate geometry to two Rb and one Nb atom.

Authors:
Publication Date:
Other Number(s):
mp-1212541
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; Rb3NbF12; F-Nb-Rb
OSTI Identifier:
1758412
DOI:
https://doi.org/10.17188/1758412

Citation Formats

The Materials Project. Materials Data on Rb3NbF12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758412.
The Materials Project. Materials Data on Rb3NbF12 by Materials Project. United States. doi:https://doi.org/10.17188/1758412
The Materials Project. 2020. "Materials Data on Rb3NbF12 by Materials Project". United States. doi:https://doi.org/10.17188/1758412. https://www.osti.gov/servlets/purl/1758412. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758412,
title = {Materials Data on Rb3NbF12 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four fluorine-19 molecules and one Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.90 Å) and four longer (3.03 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four F atoms. There are two shorter (2.64 Å) and two longer (2.82 Å) Rb–F bond lengths. Nb is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.05 Å) and four longer (2.08 Å) Nb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one Nb atom. In the second F site, F is bonded in a 1-coordinate geometry to two Rb and one Nb atom.},
doi = {10.17188/1758412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}