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Title: Materials Data on OF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314394· OSTI ID:1314394

OF3OFF2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules, one hypofluorous acid molecule, and one OF3 cluster. In the OF3 cluster, O is bonded in a water-like geometry to three F atoms. There are a spread of O–F bond distances ranging from 1.42–2.00 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one O 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:
1314394
Report Number(s):
mp-974002
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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