U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on As(CN)3 by Materials Project
Abstract
As(CN)3 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four arsenic cyanide molecules. there are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.98 Å. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.97 Å. The C–N bond length is 1.17 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.96 Å. The C–N bond length is 1.17 Å. As3- is bonded in a distorted T-shaped geometry to three C4+ atoms. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-623837
- 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; As(CN)3; As-C-N
- OSTI Identifier:
- 1278222
- DOI:
- https://doi.org/10.17188/1278222
Citation Formats
The Materials Project. Materials Data on As(CN)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278222.
The Materials Project. Materials Data on As(CN)3 by Materials Project. United States. doi:https://doi.org/10.17188/1278222
The Materials Project. 2020.
"Materials Data on As(CN)3 by Materials Project". United States. doi:https://doi.org/10.17188/1278222. https://www.osti.gov/servlets/purl/1278222. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278222,
title = {Materials Data on As(CN)3 by Materials Project},
author = {The Materials Project},
abstractNote = {As(CN)3 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four arsenic cyanide molecules. there are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.98 Å. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.97 Å. The C–N bond length is 1.17 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one As3- and one N3- atom. The C–As bond length is 1.96 Å. The C–N bond length is 1.17 Å. As3- is bonded in a distorted T-shaped geometry to three C4+ atoms. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1278222},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}