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Title: 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 distorted linear geometry to one As3- and one N3- atom. The C–As bond length is 1.95 Å. The C–N bond length is 1.17 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 1.93 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 1.95 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.

Publication Date:
Other Number(s):
mp-608317
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; As(CN)3; As-C-N
OSTI Identifier:
1277615
DOI:
https://doi.org/10.17188/1277615

Citation Formats

The Materials Project. Materials Data on As(CN)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277615.
The Materials Project. Materials Data on As(CN)3 by Materials Project. United States. doi:https://doi.org/10.17188/1277615
The Materials Project. 2020. "Materials Data on As(CN)3 by Materials Project". United States. doi:https://doi.org/10.17188/1277615. https://www.osti.gov/servlets/purl/1277615. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1277615,
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 distorted linear geometry to one As3- and one N3- atom. The C–As bond length is 1.95 Å. The C–N bond length is 1.17 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 1.93 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 1.95 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 = {10.17188/1277615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}