U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiEuPSe4 by Materials Project
Abstract
LiEuPSe4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are two shorter (2.54 Å) and two longer (2.76 Å) Li–Se bond lengths. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.01–3.51 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Eu2+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Eu2+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Eu2+, and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-777825
- 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-Li-P-Se; LiEuPSe4; crystal structure
- OSTI Identifier:
- 1305309
- DOI:
- https://doi.org/10.17188/1305309
Citation Formats
Materials Data on LiEuPSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305309.
Materials Data on LiEuPSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1305309
2020.
"Materials Data on LiEuPSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1305309. https://www.osti.gov/servlets/purl/1305309. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1305309,
title = {Materials Data on LiEuPSe4 by Materials Project},
abstractNote = {LiEuPSe4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are two shorter (2.54 Å) and two longer (2.76 Å) Li–Se bond lengths. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.01–3.51 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Eu2+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Eu2+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Eu2+, and one P5+ atom.},
doi = {10.17188/1305309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}