Materials Data on ReS8NO2 by Materials Project
ReNS8O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ReNS8O2 cluster. Re7+ is bonded to six S1- atoms to form distorted edge-sharing ReS6 octahedra. There are a spread of Re–S bond distances ranging from 2.25–2.59 Å. N5+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. There are eight inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two S1- atoms. There are one shorter (1.99 Å) and one longer (2.06 Å) S–S bond lengths. In the second S1- site, S1- is bonded in a distorted water-like geometry to two S1- atoms. Both S–S bond lengths are 2.06 Å. In the third S1- site, S1- is bonded in a distorted single-bond geometry to one Re7+ and one S1- atom. In the fourth S1- site, S1- is bonded in a distorted single-bond geometry to one Re7+, one S1-, and one O2- atom. The S–O bond length is 3.34 Å. In the fifth S1- site, S1- is bonded in a 1-coordinate geometry to two equivalent Re7+ and one N5+ atom. In the sixth S1- site, S1- is bonded in a 2-coordinate geometry to one Re7+ and one S1- atom. The S–S bond length is 2.03 Å. In the seventh S1- site, S1- is bonded in a 2-coordinate geometry to two S1- atoms. In the eighth S1- site, S1- is bonded in a distorted bent 120 degrees geometry to one Re7+ and one S1- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one S1- and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one O2- atom.