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Title: Materials Data on IF5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199369· OSTI ID:1199369

IF5 is beta-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty IF5 clusters. I5+ is bonded in a square pyramidal geometry to five F1- atoms. There is one shorter (1.85 Å) and four longer (1.93 Å) I–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one I5+ 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:
1199369
Report Number(s):
mp-23257
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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