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Title: Materials Data on AlH18Ru(NF)6 by Materials Project

Abstract

Ru(NH3)6AlF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AlF6 clusters and four Ru(NH3)6 clusters. In each AlF6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. F1- is bonded in a single-bond geometry to one Al3+ atom. In each Ru(NH3)6 cluster, Ru3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ru–N bond lengths are 2.12 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-24135
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; AlH18Ru(NF)6; Al-F-H-N-Ru
OSTI Identifier:
1199931
DOI:
https://doi.org/10.17188/1199931

Citation Formats

The Materials Project. Materials Data on AlH18Ru(NF)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199931.
The Materials Project. Materials Data on AlH18Ru(NF)6 by Materials Project. United States. doi:https://doi.org/10.17188/1199931
The Materials Project. 2020. "Materials Data on AlH18Ru(NF)6 by Materials Project". United States. doi:https://doi.org/10.17188/1199931. https://www.osti.gov/servlets/purl/1199931. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1199931,
title = {Materials Data on AlH18Ru(NF)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ru(NH3)6AlF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AlF6 clusters and four Ru(NH3)6 clusters. In each AlF6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. F1- is bonded in a single-bond geometry to one Al3+ atom. In each Ru(NH3)6 cluster, Ru3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ru–N bond lengths are 2.12 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1199931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}