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Title: Materials Data on LiGdO2 by Materials Project

Abstract

LiGdO2 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 1.92–2.04 Å. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 18–39°. There are a spread of Gd–O bond distances ranging from 2.25–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Gd3+ atoms to form distorted OLiGd3 tetrahedra that share corners with seven equivalent OLi2Gd3 square pyramids, corners with four equivalent OLiGd3 tetrahedra, edges with two equivalent OLi2Gd3 square pyramids, and an edgeedge with one OLiGd3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Gd3+ atoms to form distorted OLi2Gd3 square pyramids that share corners with two equivalent OLi2Gd3 square pyramids, corners with seven equivalent OLiGd3 tetrahedra, edges with three equivalent OLi2Gd3 square pyramids, and edges with two equivalent OLiGd3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-754162
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; LiGdO2; Gd-Li-O
OSTI Identifier:
1289274
DOI:
https://doi.org/10.17188/1289274

Citation Formats

The Materials Project. Materials Data on LiGdO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289274.
The Materials Project. Materials Data on LiGdO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289274
The Materials Project. 2020. "Materials Data on LiGdO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289274. https://www.osti.gov/servlets/purl/1289274. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289274,
title = {Materials Data on LiGdO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiGdO2 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 1.92–2.04 Å. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 18–39°. There are a spread of Gd–O bond distances ranging from 2.25–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Gd3+ atoms to form distorted OLiGd3 tetrahedra that share corners with seven equivalent OLi2Gd3 square pyramids, corners with four equivalent OLiGd3 tetrahedra, edges with two equivalent OLi2Gd3 square pyramids, and an edgeedge with one OLiGd3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Gd3+ atoms to form distorted OLi2Gd3 square pyramids that share corners with two equivalent OLi2Gd3 square pyramids, corners with seven equivalent OLiGd3 tetrahedra, edges with three equivalent OLi2Gd3 square pyramids, and edges with two equivalent OLiGd3 tetrahedra.},
doi = {10.17188/1289274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}