Materials Data on DyMn2(Cr2Ge3)2 by Materials Project

Abstract

DyMn2(Cr2Ge3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Dy is bonded to four equivalent Mn and eight Ge atoms to form a mixture of distorted face and edge-sharing DyMn4Ge8 hexagonal bipyramids. All Dy–Mn bond lengths are 3.31 Å. There are two shorter (2.87 Å) and six longer (2.97 Å) Dy–Ge bond lengths. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent Mn and six Ge atoms. All Cr–Mn bond lengths are 2.57 Å. There are a spread of Cr–Ge bond distances ranging from 2.53–2.69 Å. In the second Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. In the third Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Mn–Mn bond lengths are 2.57 Å. There are four shorter (2.54 Å) and two longer (2.69 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to four Cr and two equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy, four Cr, and two equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, two equivalent Cr, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Cr, and one Ge atom.