Materials Data on Dy2Te3Se by Materials Project

Abstract

Dy2Te3Se crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.95–3.13 Å. The Dy–Se bond length is 2.82 Å. In the second Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of distorted edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.94–3.08 Å. The Dy–Se bond length is 2.84 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 4-coordinate geometry to two Dy3+ and two equivalent Se2- atoms. There are one shorter (2.69 Å) and one longer (3.91 Å) Te–Se bond lengths. In the second Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ and one Se2- atom. The Te–Se bond length is 3.31 Å. Se2- is bonded in a 3-coordinate geometry to two Dy3+ and three Te+1.33- atoms.