Materials Data on DyCuSb2 by Materials Project

Abstract

DyCuSb2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Dy–Sb bond distances ranging from 3.17–3.27 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Dy–Sb bond distances ranging from 3.16–3.26 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are one shorter (2.67 Å) and three longer (2.68 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are one shorter (2.66 Å) and three longer (2.68 Å) Cu–Sb bond lengths. There are four inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four Cu1+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Dy3+ and four Cu1+ atoms. In the third Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four Dy3+ and four equivalent Sb2- atoms. There are two shorter (3.05 Å) and two longer (3.06 Å) Sb–Sb bond lengths. In the fourth Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four Dy3+ and four equivalent Sb2- atoms.