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Title: Materials Data on Ir3Se8 by Materials Project

Abstract

Ir3Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir+3.33+ is bonded to six Se+1.25- atoms to form corner-sharing IrSe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–Se bond distances ranging from 2.51–2.53 Å. There are two inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.49 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to three equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.61 Å.

Publication Date:
Other Number(s):
mp-9888
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; Ir3Se8; Ir-Se
OSTI Identifier:
1316771
DOI:
https://doi.org/10.17188/1316771

Citation Formats

The Materials Project. Materials Data on Ir3Se8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316771.
The Materials Project. Materials Data on Ir3Se8 by Materials Project. United States. doi:https://doi.org/10.17188/1316771
The Materials Project. 2020. "Materials Data on Ir3Se8 by Materials Project". United States. doi:https://doi.org/10.17188/1316771. https://www.osti.gov/servlets/purl/1316771. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316771,
title = {Materials Data on Ir3Se8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ir3Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir+3.33+ is bonded to six Se+1.25- atoms to form corner-sharing IrSe6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–Se bond distances ranging from 2.51–2.53 Å. There are two inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.49 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to three equivalent Ir+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.61 Å.},
doi = {10.17188/1316771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}