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Title: Materials Data on Sc2O3 by Materials Project

Abstract

Sc2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with six equivalent OSc6 octahedra, corners with six equivalent OSc4 tetrahedra, edges with three equivalent OSc6 octahedra, and edges with three equivalent OSc4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. In the second O2- site, O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with twelve equivalent OSc4 tetrahedra, edges with six equivalent OSc6 octahedra, and edges with six equivalent OSc4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-13060
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; Sc2O3; O-Sc
OSTI Identifier:
1189356
DOI:
https://doi.org/10.17188/1189356

Citation Formats

The Materials Project. Materials Data on Sc2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189356.
The Materials Project. Materials Data on Sc2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1189356
The Materials Project. 2020. "Materials Data on Sc2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1189356. https://www.osti.gov/servlets/purl/1189356. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1189356,
title = {Materials Data on Sc2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with six equivalent OSc6 octahedra, corners with six equivalent OSc4 tetrahedra, edges with three equivalent OSc6 octahedra, and edges with three equivalent OSc4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. In the second O2- site, O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with twelve equivalent OSc4 tetrahedra, edges with six equivalent OSc6 octahedra, and edges with six equivalent OSc4 tetrahedra.},
doi = {10.17188/1189356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}