Materials Data on TcS2 by Materials Project
TcS2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one TcS2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Tc4+ sites. In the first Tc4+ site, Tc4+ is bonded to six S2- atoms to form edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.34–2.47 Å. In the second Tc4+ site, Tc4+ is bonded to six S2- atoms to form distorted edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.31–2.52 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Tc4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms.
- 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:
- 1313272
- Report Number(s):
- mp-9481
- Country of Publication:
- United States
- Language:
- English
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