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}
}