Materials Data on K5P2Au by Materials Project

Abstract

K5AuP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.32 Å. In the second K1+ site, K1+ is bonded in a trigonal planar geometry to three equivalent Au1+ atoms. All K–Au bond lengths are 3.29 Å. In the third K1+ site, K1+ is bonded to four equivalent P3- atoms to form distorted KP4 tetrahedra that share corners with six equivalent KP4 tetrahedra, corners with four equivalent AuK3P2 trigonal bipyramids, and edges with three equivalent KP4 tetrahedra. There are one shorter (3.22 Å) and three longer (3.58 Å) K–P bond lengths. Au1+ is bonded to three equivalent K1+ and two equivalent P3- atoms to form AuK3P2 trigonal bipyramids that share corners with eight equivalent KP4 tetrahedra and corners with six equivalent AuK3P2 trigonal bipyramids. Both Au–P bond lengths are 2.41 Å. P3- is bonded in a 8-coordinate geometry to seven K1+ and one Au1+ atom.