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Title: Materials Data on Ir(Cl2F3)2 by Materials Project

Abstract

IrF6(Cl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules and two IrF6 clusters. In each IrF6 cluster, Ir is bonded in an octahedral geometry to six F atoms. There is four shorter (1.89 Å) and two longer (1.90 Å) Ir–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Ir atom. In the third F site, F is bonded in a single-bond geometry to one Ir atom.

Authors:
Publication Date:
Other Number(s):
mp-29870
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; Ir(Cl2F3)2; Cl-F-Ir
OSTI Identifier:
1204308
DOI:
https://doi.org/10.17188/1204308

Citation Formats

The Materials Project. Materials Data on Ir(Cl2F3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204308.
The Materials Project. Materials Data on Ir(Cl2F3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204308
The Materials Project. 2020. "Materials Data on Ir(Cl2F3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204308. https://www.osti.gov/servlets/purl/1204308. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1204308,
title = {Materials Data on Ir(Cl2F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {IrF6(Cl2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules and two IrF6 clusters. In each IrF6 cluster, Ir is bonded in an octahedral geometry to six F atoms. There is four shorter (1.89 Å) and two longer (1.90 Å) Ir–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Ir atom. In the third F site, F is bonded in a single-bond geometry to one Ir atom.},
doi = {10.17188/1204308},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}