U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmU2S3O2 by Materials Project
Abstract
U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.95 Å. All U–O bond lengths are 2.33 Å. Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–S bond lengths are 2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Tm3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Tm3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1025490
- 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-S-Tm-U; TmU2S3O2; crystal structure
- OSTI Identifier:
- 1355276
- DOI:
- https://doi.org/10.17188/1355276
Citation Formats
Materials Data on TmU2S3O2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355276.
Materials Data on TmU2S3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1355276
2020.
"Materials Data on TmU2S3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1355276. https://www.osti.gov/servlets/purl/1355276. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355276,
title = {Materials Data on TmU2S3O2 by Materials Project},
abstractNote = {U2TmS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.95 Å. All U–O bond lengths are 2.33 Å. Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–S bond lengths are 2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Tm3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Tm3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.},
doi = {10.17188/1355276},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}