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Title: Materials Data on IrF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1200061· OSTI ID:1200061

IrF3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent F1- atoms to form corner-sharing IrF6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ir–F bond lengths are 2.04 Å. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ir3+ atoms.

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:
1200061
Report Number(s):
mp-2437
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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