U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; Eu-Ir-Li-O; LiEu2IrO6; crystal structure
- OSTI Identifier:
- 1188458
- DOI:
- https://doi.org/10.17188/1188458
Citation Formats
Materials Data on LiEu2IrO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188458.
Materials Data on LiEu2IrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1188458
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 04:00:00 UTC 2020
@article{osti_1188458,
title = {Materials Data on LiEu2IrO6 by 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 = {Wed Jul 15 04:00:00 UTC 2020},
month = {Wed Jul 15 04:00:00 UTC 2020}
}