Materials Data on K2NiAs2 by Materials Project

Abstract

K2NiAs2 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 As2- atoms. There are two shorter (3.41 Å) and four longer (3.49 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.40 Å) and four longer (3.58 Å) K–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.37 Å. As2- is bonded in a 9-coordinate geometry to six K1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.45 Å.