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Title: Materials Data on LiGa5O8 by Materials Project

Abstract

LiGa5O8 is Spinel-like structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent GaO4 tetrahedra and edges with six equivalent GaO6 octahedra. All Li–O bond lengths are 2.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.06 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is three shorter (1.88 Å) and one longer (1.92 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ga3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and threemore » Ga3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28146
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; LiGa5O8; Ga-Li-O
OSTI Identifier:
1202265
DOI:
https://doi.org/10.17188/1202265

Citation Formats

The Materials Project. Materials Data on LiGa5O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202265.
The Materials Project. Materials Data on LiGa5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1202265
The Materials Project. 2020. "Materials Data on LiGa5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1202265. https://www.osti.gov/servlets/purl/1202265. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1202265,
title = {Materials Data on LiGa5O8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiGa5O8 is Spinel-like structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent GaO4 tetrahedra and edges with six equivalent GaO6 octahedra. All Li–O bond lengths are 2.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.06 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is three shorter (1.88 Å) and one longer (1.92 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ga3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ga3+ atoms.},
doi = {10.17188/1202265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}