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Title: Materials Data on ScGaO3 by Materials Project

Abstract

ScGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.74 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Ga–O bond distances ranging from 1.97–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OSc2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sc3+ and two equivalent Ga3+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1289315
Report Number(s):
mp-754239
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; ScGaO3; Ga-O-Sc

Citation Formats

The Materials Project. Materials Data on ScGaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289315.
The Materials Project. Materials Data on ScGaO3 by Materials Project. United States. https://doi.org/10.17188/1289315
The Materials Project. 2020. "Materials Data on ScGaO3 by Materials Project". United States. https://doi.org/10.17188/1289315. https://www.osti.gov/servlets/purl/1289315.
@article{osti_1289315,
title = {Materials Data on ScGaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.74 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Ga–O bond distances ranging from 1.97–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OSc2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sc3+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1289315},
url = {https://www.osti.gov/biblio/1289315}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}