U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScUS3 by Materials Project
Abstract
UScS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–3.15 Å. 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 49°. There are two shorter (2.51 Å) and four longer (2.60 Å) Sc–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Sc3+ atoms. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Sc3+ atoms to form distorted corner-sharing SSc2U2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-7276
- 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-U; ScUS3
- OSTI Identifier:
- 1287631
- DOI:
- https://doi.org/10.17188/1287631
Citation Formats
Materials Data on ScUS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287631.
Materials Data on ScUS3 by Materials Project. United States. doi:https://doi.org/10.17188/1287631
2020.
"Materials Data on ScUS3 by Materials Project". United States. doi:https://doi.org/10.17188/1287631. https://www.osti.gov/servlets/purl/1287631. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1287631,
title = {Materials Data on ScUS3 by Materials Project},
abstractNote = {UScS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–3.15 Å. 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 49°. There are two shorter (2.51 Å) and four longer (2.60 Å) Sc–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Sc3+ atoms. In the second S2- site, S2- is bonded to two equivalent U3+ and two equivalent Sc3+ atoms to form distorted corner-sharing SSc2U2 tetrahedra.},
doi = {10.17188/1287631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}