Materials Data on Dy4Te3S4 by Materials Project

Abstract

Dy4Te3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded to three Te+1.33- and four S2- atoms to form distorted DyTe3S4 pentagonal bipyramids that share corners with three equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 tetrahedra, corners with four equivalent SDy4Te2 trigonal pyramids, edges with six equivalent DyTe3S4 pentagonal bipyramids, and faces with two equivalent DyTe3S4 pentagonal bipyramids. There are a spread of Dy–Te bond distances ranging from 3.11–3.34 Å. There are a spread of Dy–S bond distances ranging from 2.68–2.76 Å. There are two inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 10-coordinate geometry to four equivalent Dy3+, two Te+1.33-, and four S2- atoms. There are one shorter (2.83 Å) and one longer (3.88 Å) Te–Te bond lengths. There are two shorter (3.81 Å) and two longer (3.86 Å) Te–S bond lengths. In the second Te+1.33- site, Te+1.33- is bonded in a square co-planar geometry to four equivalent Dy3+ and two equivalent Te+1.33- atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent Te+1.33- atoms to form distorted SDy4Te2 trigonal pyramids that share corners with eight equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 tetrahedra, edges with four equivalent SDy4Te2 tetrahedra, and edges with three equivalent SDy4Te2 trigonal pyramids. In the second S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent Te+1.33- atoms to form distorted SDy4Te2 tetrahedra that share corners with eight equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 trigonal pyramids, edges with three equivalent SDy4Te2 tetrahedra, and edges with four equivalent SDy4Te2 trigonal pyramids.