U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AgB10H26C6N by Materials Project
Abstract
Ag(BH)3(BH)7C6NH16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight boranediylradical molecules, four triethylammonium molecules, and four Ag(BH)3 clusters. In each Ag(BH)3 cluster, Ag1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Ag–H bond distances ranging from 2.09–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.22 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.23 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the second H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the third H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-738633
- 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; AgB10H26C6N; Ag-B-C-H-N
- OSTI Identifier:
- 1287891
- DOI:
- https://doi.org/10.17188/1287891
Citation Formats
The Materials Project. Materials Data on AgB10H26C6N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287891.
The Materials Project. Materials Data on AgB10H26C6N by Materials Project. United States. doi:https://doi.org/10.17188/1287891
The Materials Project. 2020.
"Materials Data on AgB10H26C6N by Materials Project". United States. doi:https://doi.org/10.17188/1287891. https://www.osti.gov/servlets/purl/1287891. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1287891,
title = {Materials Data on AgB10H26C6N by Materials Project},
author = {The Materials Project},
abstractNote = {Ag(BH)3(BH)7C6NH16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight boranediylradical molecules, four triethylammonium molecules, and four Ag(BH)3 clusters. In each Ag(BH)3 cluster, Ag1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Ag–H bond distances ranging from 2.09–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.22 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.23 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the second H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the third H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom.},
doi = {10.17188/1287891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}