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Title: Materials Data on IrCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201870· OSTI ID:1201870

IrCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one IrCl3 sheet oriented in the (0, 0, 1) direction. Ir3+ is bonded to six Cl1- atoms to form edge-sharing IrCl6 octahedra. All Ir–Cl bond lengths are 2.37 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ir3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped 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:
1201870
Report Number(s):
mp-27666
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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