Materials Data on SmTlSe2 by Materials Project
TlSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent SmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Sm–Se bond lengths are 2.96 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent SmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.35 Å. Se2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeSm3Tl3 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:
- 1317487
- Report Number(s):
- mp-999137
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on GdTlSe2 by Materials Project
Materials Data on YTlSe2 by Materials Project
Materials Data on PrTlSe2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1275076
Materials Data on YTlSe2 by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1710119
Materials Data on PrTlSe2 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1317528