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Title: Materials Data on AsIF12 by Materials Project

Abstract

AsF6IF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four IF6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each IF6 cluster, I is bonded in an octahedral geometry to six equivalent F atoms. All I–F bond lengths are 1.83 Å. F is bonded in a single-bond geometry to one I atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555340
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; AsIF12; As-F-I
OSTI Identifier:
1268760
DOI:
10.17188/1268760

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsIF12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268760.
Persson, Kristin, & Project, Materials. Materials Data on AsIF12 by Materials Project. United States. doi:10.17188/1268760.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsIF12 by Materials Project". United States. doi:10.17188/1268760. https://www.osti.gov/servlets/purl/1268760. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1268760,
title = {Materials Data on AsIF12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AsF6IF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four IF6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each IF6 cluster, I is bonded in an octahedral geometry to six equivalent F atoms. All I–F bond lengths are 1.83 Å. F is bonded in a single-bond geometry to one I atom.},
doi = {10.17188/1268760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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