U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-754455
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-Sc; Sc2O3; crystal structure
- OSTI Identifier:
- 1289431
- DOI:
- https://doi.org/10.17188/1289431
Citation Formats
Materials Data on Sc2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289431.
Materials Data on Sc2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1289431
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 04:00:00 UTC 2020
@article{osti_1289431,
title = {Materials Data on Sc2O3 by 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}
}