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Title: Materials Data on IrCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274297· OSTI ID:1274297

IrCl3 is Aluminum trichloride-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. 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 a water-like 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:
1274297
Report Number(s):
mp-568208
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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