Materials Data on SrC2S2N2O3 by Materials Project
SrC2N2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SrC2N2S2O3 sheet oriented in the (-1, 0, 2) direction. Sr2+ is bonded to four N and two O2- atoms to form distorted edge-sharing SrN4O2 octahedra. There are a spread of Sr–N bond distances ranging from 2.57–2.70 Å. There are one shorter (2.54 Å) and one longer (2.73 Å) Sr–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.20 Å. The C–S bond length is 1.61 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom. In the second N site, N is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one S2- atom.