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Title: Materials Data on Ir2S3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1309364· OSTI ID:1309364

Ir2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent S2- atoms to form a mixture of edge, corner, and face-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.37 Å) and three longer (2.41 Å) Ir–S bond lengths. S2- is bonded to four equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing SIr4 trigonal pyramids.

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:
1309364
Report Number(s):
mp-861979
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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