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Title: Materials Data on Fe2H3F2 by Materials Project

Abstract

Fe2HF2H2 is Tenorite-like structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of eight hydrogen molecules and four Fe2HF2 clusters. In each Fe2HF2 cluster, Fe+2.50+ is bonded in a single-bond geometry to one F1- atom. The Fe–F bond length is 2.02 Å. H1- is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a linear geometry to one Fe+2.50+ and one H1- atom.

Authors:
Publication Date:
Other Number(s):
mp-1212847
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; Fe2H3F2; F-Fe-H
OSTI Identifier:
1738764
DOI:
https://doi.org/10.17188/1738764

Citation Formats

The Materials Project. Materials Data on Fe2H3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738764.
The Materials Project. Materials Data on Fe2H3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1738764
The Materials Project. 2020. "Materials Data on Fe2H3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1738764. https://www.osti.gov/servlets/purl/1738764. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738764,
title = {Materials Data on Fe2H3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2HF2H2 is Tenorite-like structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of eight hydrogen molecules and four Fe2HF2 clusters. In each Fe2HF2 cluster, Fe+2.50+ is bonded in a single-bond geometry to one F1- atom. The Fe–F bond length is 2.02 Å. H1- is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a linear geometry to one Fe+2.50+ and one H1- atom.},
doi = {10.17188/1738764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}