Materials Data on BaAs2Pd by Materials Project

Abstract

BaPdAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten As3- atoms. There are a spread of Ba–As bond distances ranging from 3.43–3.53 Å. Pd4+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Pd–As bond distances ranging from 2.58–2.63 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to six equivalent Ba2+, one Pd4+, and two equivalent As3- atoms. Both As–As bond lengths are 2.67 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Pd4+ atoms.