Materials Data on ReS2 by Materials Project

ReS2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two ReS2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Re–S bond distances ranging from 1.90–2.48 Å. In the second Re4+ site, Re4+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Re–S bond distances ranging from 1.98–2.95 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Re4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two Re4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Re4+ atoms.