Materials Data on LiEu2RuO6 by Materials Project
Abstract
LiEu2RuO6 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 RuO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Li–O bond distances ranging from 2.03–2.16 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.68 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Ru–O bond distances ranging from 1.94–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Eu3+, and one Ru5+ atom to form distorted corner-sharing OLiEu2Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ru5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211562
- 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; LiEu2RuO6; Eu-Li-O-Ru
- OSTI Identifier:
- 1751107
- DOI:
- https://doi.org/10.17188/1751107
Citation Formats
The Materials Project. Materials Data on LiEu2RuO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751107.
The Materials Project. Materials Data on LiEu2RuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1751107
The Materials Project. 2020.
"Materials Data on LiEu2RuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1751107. https://www.osti.gov/servlets/purl/1751107. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1751107,
title = {Materials Data on LiEu2RuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiEu2RuO6 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 RuO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Li–O bond distances ranging from 2.03–2.16 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.68 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Ru–O bond distances ranging from 1.94–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Eu3+, and one Ru5+ atom to form distorted corner-sharing OLiEu2Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Eu3+, and one Ru5+ atom.},
doi = {10.17188/1751107},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}