U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmMgS3 by Materials Project
Abstract
MgTmS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S+1.67- atoms to form MgS6 octahedra that share corners with nine equivalent TmS6 octahedra, edges with three equivalent MgS6 octahedra, and a faceface with one TmS6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are three shorter (2.56 Å) and three longer (2.66 Å) Mg–S bond lengths. Tm3+ is bonded to six equivalent S+1.67- atoms to form TmS6 octahedra that share corners with nine equivalent MgS6 octahedra, edges with three equivalent TmS6 octahedra, and a faceface with one MgS6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are three shorter (2.66 Å) and three longer (2.71 Å) Tm–S bond lengths. S+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Tm3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1232251
- 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; Mg-S-Tm; TmMgS3; crystal structure
- OSTI Identifier:
- 1698624
- DOI:
- https://doi.org/10.17188/1698624
Citation Formats
Materials Data on TmMgS3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698624.
Materials Data on TmMgS3 by Materials Project. United States. doi:https://doi.org/10.17188/1698624
2019.
"Materials Data on TmMgS3 by Materials Project". United States. doi:https://doi.org/10.17188/1698624. https://www.osti.gov/servlets/purl/1698624. Pub date:Wed Jan 16 04:00:00 UTC 2019
@article{osti_1698624,
title = {Materials Data on TmMgS3 by Materials Project},
abstractNote = {MgTmS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S+1.67- atoms to form MgS6 octahedra that share corners with nine equivalent TmS6 octahedra, edges with three equivalent MgS6 octahedra, and a faceface with one TmS6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are three shorter (2.56 Å) and three longer (2.66 Å) Mg–S bond lengths. Tm3+ is bonded to six equivalent S+1.67- atoms to form TmS6 octahedra that share corners with nine equivalent MgS6 octahedra, edges with three equivalent TmS6 octahedra, and a faceface with one MgS6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are three shorter (2.66 Å) and three longer (2.71 Å) Tm–S bond lengths. S+1.67- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Tm3+ atoms.},
doi = {10.17188/1698624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}