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Title: Materials Data on LiEu2IrO6 by Materials Project

Abstract

LiEu2IrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are a spread of Li–O bond distances ranging from 2.06–2.19 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.71 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is two shorter (1.96 Å) and four longer (1.97 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ir5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Eu3+, and one Ir5+ atom to form distorted corner-sharing OLiEu2Ir tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ir5+ atom.

Publication Date:
Other Number(s):
mp-11903
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; LiEu2IrO6; Eu-Ir-Li-O
OSTI Identifier:
1188458
DOI:
https://doi.org/10.17188/1188458

Citation Formats

The Materials Project. Materials Data on LiEu2IrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188458.
The Materials Project. Materials Data on LiEu2IrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1188458
The Materials Project. 2020. "Materials Data on LiEu2IrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1188458. https://www.osti.gov/servlets/purl/1188458. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188458,
title = {Materials Data on LiEu2IrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiEu2IrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are a spread of Li–O bond distances ranging from 2.06–2.19 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.71 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is two shorter (1.96 Å) and four longer (1.97 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ir5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Eu3+, and one Ir5+ atom to form distorted corner-sharing OLiEu2Ir tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ir5+ atom.},
doi = {10.17188/1188458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}