Materials Data on La2ZnSb4 by Materials Project

Abstract

La2ZnSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.29 Å) and four longer (3.41 Å) La–Sb bond lengths. Zn2+ is bonded to four equivalent Sb2- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.72 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Zn2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.12 Å.