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Title: Materials Data on Sc2O3 by Materials Project

Abstract

Sc2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.06 Å) and three longer (2.26 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. O2- is bonded to four Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-754455
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:
1289431
DOI:
https://doi.org/10.17188/1289431

Citation Formats

The Materials Project. Materials Data on Sc2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289431.
The Materials Project. Materials Data on Sc2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1289431
The Materials Project. 2020. "Materials Data on Sc2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1289431. https://www.osti.gov/servlets/purl/1289431. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289431,
title = {Materials Data on Sc2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.06 Å) and three longer (2.26 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. O2- is bonded to four Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 trigonal pyramids.},
doi = {10.17188/1289431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}