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Title: Materials Data on SrLaGaO4 by Materials Project

Abstract

SrLaGaO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.78 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.77 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Ga–O bond distances ranging from 1.95–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Ga3+ atoms to form distorted OSr2La2Ga2 octahedra that share corners with fourteen OSrLa4Ga octahedra, edges with two equivalent OSr2La2Ga2 octahedra, and faces with eight OSrLa4Ga octahedra. The corner-sharing octahedra tilt angles range from 7–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Ga3+ atom to form distorted OSrLa4Ga octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range frommore » 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ga3+ atom to form distorted OSr4LaGa octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218152
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; SrLaGaO4; Ga-La-O-Sr
OSTI Identifier:
1691164
DOI:
https://doi.org/10.17188/1691164

Citation Formats

The Materials Project. Materials Data on SrLaGaO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691164.
The Materials Project. Materials Data on SrLaGaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1691164
The Materials Project. 2020. "Materials Data on SrLaGaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1691164. https://www.osti.gov/servlets/purl/1691164. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691164,
title = {Materials Data on SrLaGaO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLaGaO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.78 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.77 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Ga–O bond distances ranging from 1.95–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Ga3+ atoms to form distorted OSr2La2Ga2 octahedra that share corners with fourteen OSrLa4Ga octahedra, edges with two equivalent OSr2La2Ga2 octahedra, and faces with eight OSrLa4Ga octahedra. The corner-sharing octahedra tilt angles range from 7–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Ga3+ atom to form distorted OSrLa4Ga octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ga3+ atom to form distorted OSr4LaGa octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.},
doi = {10.17188/1691164},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}