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Title: 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; 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; LiErO2; Er-Li-O
OSTI Identifier:
1187491
DOI:
https://doi.org/10.17188/1187491

Citation Formats

The Materials Project. Materials Data on LiErO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187491.
The Materials Project. Materials Data on LiErO2 by Materials Project. United States. doi:https://doi.org/10.17188/1187491
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1187491,
title = {Materials Data on LiErO2 by Materials Project},
author = {The 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}
}