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Title: Materials Data on As(IF3)2 by Materials Project

Abstract

F(AsF3)(IF1)2 is Cubane-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight iodine monofluoride molecules and four F(AsF3) clusters. In each F(AsF3) cluster, As2+ is bonded in a trigonal pyramidal geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom.

Publication Date:
Other Number(s):
mp-651217
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(IF3)2; As-F-I
OSTI Identifier:
1281050
DOI:
10.17188/1281050

Citation Formats

The Materials Project. Materials Data on As(IF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281050.
The Materials Project. Materials Data on As(IF3)2 by Materials Project. United States. doi:10.17188/1281050.
The Materials Project. 2020. "Materials Data on As(IF3)2 by Materials Project". United States. doi:10.17188/1281050. https://www.osti.gov/servlets/purl/1281050. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281050,
title = {Materials Data on As(IF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {F(AsF3)(IF1)2 is Cubane-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight iodine monofluoride molecules and four F(AsF3) clusters. In each F(AsF3) cluster, As2+ is bonded in a trigonal pyramidal geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom.},
doi = {10.17188/1281050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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