Title: Materials Data on Ce3IrI3 by Materials Project

Abstract

Ce3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent Ir and four equivalent I atoms to form a mixture of distorted edge and corner-sharing CeIr2I4 octahedra. The corner-sharing octahedra tilt angles range from 8–13°. Both Ce–Ir bond lengths are 2.85 Å. There are two shorter (3.28 Å) and two longer (3.43 Å) Ce–I bond lengths. Ir is bonded to six equivalent Ce atoms to form edge-sharing IrCe6 octahedra. I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms.

Publication Date:
Other Number(s):
mp-1192762
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ce-I-Ir; Ce3IrI3; crystal structure
OSTI Identifier:
1654826
DOI:
https://doi.org/10.17188/1654826

Citation Formats

Materials Data on Ce3IrI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654826.
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Materials Data on Ce3IrI3 by Materials Project. United States. doi:https://doi.org/10.17188/1654826
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2020. "Materials Data on Ce3IrI3 by Materials Project". United States. doi:https://doi.org/10.17188/1654826. https://www.osti.gov/servlets/purl/1654826. Pub date:Fri May 01 20:00:00 EDT 2020
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@article{osti_1654826,
title = {Materials Data on Ce3IrI3 by Materials Project},
abstractNote = {Ce3IrI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent Ir and four equivalent I atoms to form a mixture of distorted edge and corner-sharing CeIr2I4 octahedra. The corner-sharing octahedra tilt angles range from 8–13°. Both Ce–Ir bond lengths are 2.85 Å. There are two shorter (3.28 Å) and two longer (3.43 Å) Ce–I bond lengths. Ir is bonded to six equivalent Ce atoms to form edge-sharing IrCe6 octahedra. I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms.},
doi = {10.17188/1654826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1654826
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