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Title: Materials Data on Ir3F by Materials Project

Abstract

Ir3F is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ir and four equivalent F atoms to form a mixture of distorted face, edge, and corner-sharing IrIr4F4 tetrahedra. All Ir–Ir bond lengths are 2.62 Å. All Ir–F bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. F is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184748
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; Ir3F; F-Ir
OSTI Identifier:
1695375
DOI:
https://doi.org/10.17188/1695375

Citation Formats

The Materials Project. Materials Data on Ir3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695375.
The Materials Project. Materials Data on Ir3F by Materials Project. United States. doi:https://doi.org/10.17188/1695375
The Materials Project. 2020. "Materials Data on Ir3F by Materials Project". United States. doi:https://doi.org/10.17188/1695375. https://www.osti.gov/servlets/purl/1695375. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1695375,
title = {Materials Data on Ir3F by Materials Project},
author = {The Materials Project},
abstractNote = {Ir3F is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ir and four equivalent F atoms to form a mixture of distorted face, edge, and corner-sharing IrIr4F4 tetrahedra. All Ir–Ir bond lengths are 2.62 Å. All Ir–F bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. F is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.},
doi = {10.17188/1695375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}