U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiErO2 by Materials Project
Abstract
LiErO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 17–30°. There are a spread of Er–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Er3 square pyramids.
- Publication Date:
- Other Number(s):
- mp-10970
- 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; Er-Li-O; LiErO2; crystal structure
- OSTI Identifier:
- 1187491
- DOI:
- https://doi.org/10.17188/1187491
Citation Formats
Materials Data on LiErO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187491.
Materials Data on LiErO2 by Materials Project. United States. doi:https://doi.org/10.17188/1187491
2020.
"Materials Data on LiErO2 by Materials Project". United States. doi:https://doi.org/10.17188/1187491. https://www.osti.gov/servlets/purl/1187491. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1187491,
title = {Materials Data on LiErO2 by Materials Project},
abstractNote = {LiErO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 17–30°. There are a spread of Er–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Er3 square pyramids.},
doi = {10.17188/1187491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}