Materials Data on BaSb2Pd by Materials Project

Abstract

BaPdSb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Sb2- atoms. There are a spread of Ba–Sb bond distances ranging from 3.66–3.74 Å. Pd2+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are one shorter (2.70 Å) and four longer (2.76 Å) Pd–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 1-coordinate geometry to six equivalent Ba2+, one Pd2+, and two equivalent Sb2- atoms. Both Sb–Sb bond lengths are 2.96 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Pd2+ atoms.