Materials Data on Sn2SeS by Materials Project
Sn2SeS crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two Sn2SeS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to one Se2- and two equivalent S2- atoms. The Sn–Se bond length is 2.80 Å. Both Sn–S bond lengths are 2.71 Å. In the second Sn2+ site, Sn2+ is bonded to four equivalent Se2- and one S2- atom to form a mixture of distorted edge and corner-sharing SnSe4S square pyramids. There are two shorter (2.81 Å) and two longer (3.32 Å) Sn–Se bond lengths. The Sn–S bond length is 2.66 Å. Se2- is bonded in a 3-coordinate geometry to five Sn2+ atoms. S2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms.