Materials Data on K2As2Pd by Materials Project

Abstract

K2PdAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.46 Å) and four longer (3.71 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.38 Å) and four longer (3.56 Å) K–As bond lengths. Pd4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.54 Å. As3- is bonded in a 9-coordinate geometry to six K1+, two equivalent Pd4+, and one As3- atom. The As–As bond length is 2.44 Å.