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Title: Materials Data on H25C8IN2(OF2)2 by Materials Project

Abstract

(N(CH3)4)2HF2I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules, eight tetramethylammonium molecules, and four I(OF)2 clusters. In each I(OF)2 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. Both I–F bond lengths are 2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I1- atom.

Authors:
Publication Date:
Other Number(s):
mp-1199286
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; H25C8IN2(OF2)2; C-F-H-I-N-O
OSTI Identifier:
1711242
DOI:
https://doi.org/10.17188/1711242

Citation Formats

The Materials Project. Materials Data on H25C8IN2(OF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711242.
The Materials Project. Materials Data on H25C8IN2(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711242
The Materials Project. 2020. "Materials Data on H25C8IN2(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711242. https://www.osti.gov/servlets/purl/1711242. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1711242,
title = {Materials Data on H25C8IN2(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(N(CH3)4)2HF2I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules, eight tetramethylammonium molecules, and four I(OF)2 clusters. In each I(OF)2 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. Both I–F bond lengths are 2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I1- atom.},
doi = {10.17188/1711242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}