Materials Data on Dy2SnS5 by Materials Project

Abstract

Dy2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.75–2.97 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are four shorter (2.58 Å) and two longer (2.61 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Dy3+ atoms. In the second S2- site, S2- is bonded to four equivalent Dy3+ and one Sn4+ atom to form distorted SDy4Sn trigonal bipyramids that share corners with five equivalent SDy4Sn trigonal bipyramids, corners with four equivalent SDy2Sn2 trigonal pyramids, edges with four equivalent SDy4Sn trigonal bipyramids, and edges with four equivalent SDy2Sn2 trigonal pyramids. In the third S2- site, S2- is bonded to two equivalent Dy3+ and two equivalent Sn4+ atoms to form distorted SDy2Sn2 trigonal pyramids that share corners with four equivalent SDy4Sn trigonal bipyramids, corners with six equivalent SDy2Sn2 trigonal pyramids, edges with four equivalent SDy4Sn trigonal bipyramids, and an edgeedge with one SDy2Sn2 trigonal pyramid.