U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc2S3 by Materials Project
Abstract
Sc2S3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sc–S bond distances ranging from 2.56–2.62 Å. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Sc–S bond distances ranging from 2.57–2.61 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms.
- Publication Date:
- Other Number(s):
- mp-401
- 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; crystal structure; S-Sc; Sc2S3
- OSTI Identifier:
- 1207727
- DOI:
- https://doi.org/10.17188/1207727
Citation Formats
Materials Data on Sc2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207727.
Materials Data on Sc2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1207727
2020.
"Materials Data on Sc2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1207727. https://www.osti.gov/servlets/purl/1207727. Pub date:Thu Jul 16 20:00:00 EDT 2020
@article{osti_1207727,
title = {Materials Data on Sc2S3 by Materials Project},
abstractNote = {Sc2S3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Sc–S bond distances ranging from 2.56–2.62 Å. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Sc–S bond distances ranging from 2.57–2.61 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms.},
doi = {10.17188/1207727},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}