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.