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Title: Materials Data on P2IrClF6 by Materials Project

Abstract

IrCl(PF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen phosphorus trifluoride molecules and four IrCl clusters. In each IrCl cluster, there are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.43 Å. In the second Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.42 Å. Cl1- is bonded in a 2-coordinate geometry to two Ir5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559182
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; P2IrClF6; Cl-F-Ir-P
OSTI Identifier:
1270714
DOI:
10.17188/1270714

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on P2IrClF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270714.
Persson, Kristin, & Project, Materials. Materials Data on P2IrClF6 by Materials Project. United States. doi:10.17188/1270714.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on P2IrClF6 by Materials Project". United States. doi:10.17188/1270714. https://www.osti.gov/servlets/purl/1270714. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270714,
title = {Materials Data on P2IrClF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IrCl(PF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen phosphorus trifluoride molecules and four IrCl clusters. In each IrCl cluster, there are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.43 Å. In the second Ir5+ site, Ir5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Ir–Cl bond lengths are 2.42 Å. Cl1- is bonded in a 2-coordinate geometry to two Ir5+ atoms.},
doi = {10.17188/1270714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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