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Title: Materials Data on AsC18F17 by Materials Project

Abstract

C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.

Authors:
Publication Date:
Other Number(s):
mp-1214907
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; AsC18F17; As-C-F
OSTI Identifier:
1741670
DOI:
https://doi.org/10.17188/1741670

Citation Formats

The Materials Project. Materials Data on AsC18F17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741670.
The Materials Project. Materials Data on AsC18F17 by Materials Project. United States. doi:https://doi.org/10.17188/1741670
The Materials Project. 2020. "Materials Data on AsC18F17 by Materials Project". United States. doi:https://doi.org/10.17188/1741670. https://www.osti.gov/servlets/purl/1741670. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1741670,
title = {Materials Data on AsC18F17 by Materials Project},
author = {The Materials Project},
abstractNote = {C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.},
doi = {10.17188/1741670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}