Materials Data on NaTmS2 by Materials Project
NaTmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–S bond lengths are 2.92 Å. Tm3+ is bonded to six equivalent S2- atoms to form TmS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Tm–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tm3+ atoms to form a mixture of corner and edge-sharing SNa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1312970
- Report Number(s):
- mp-9076
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TmAgS2 by Materials Project
Materials Data on NaSnS2 by Materials Project
Materials Data on NaErS2 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1731459
Materials Data on NaSnS2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1201882
Materials Data on NaErS2 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1207136