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Title: Materials Data on Fe2H3F2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1738764· OSTI ID:1738764

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1738764
Report Number(s):
mp-1212847
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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