Materials Data on Sb2S2O by Materials Project

Abstract

Sb2S2O crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sb2S2O sheets oriented in the (1, 0, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to one S2- and three equivalent O2- atoms. The Sb–S bond length is 2.53 Å. There are one shorter (2.06 Å) and two longer (2.17 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sb3+ atoms.