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Title: Materials Data on La3IrBr3 by Materials Project

Abstract

La3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. Both La–Ir bond lengths are 2.88 Å. There are two shorter (3.16 Å) and two longer (3.27 Å) La–Br bond lengths. Ir is bonded to six equivalent La atoms to form edge-sharing IrLa6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192721
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3IrBr3; Br-Ir-La
OSTI Identifier:
1654887
DOI:
https://doi.org/10.17188/1654887

Citation Formats

The Materials Project. Materials Data on La3IrBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654887.
The Materials Project. Materials Data on La3IrBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1654887
The Materials Project. 2020. "Materials Data on La3IrBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1654887. https://www.osti.gov/servlets/purl/1654887. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1654887,
title = {Materials Data on La3IrBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {La3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. Both La–Ir bond lengths are 2.88 Å. There are two shorter (3.16 Å) and two longer (3.27 Å) La–Br bond lengths. Ir is bonded to six equivalent La atoms to form edge-sharing IrLa6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.},
doi = {10.17188/1654887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}