Materials Data on K2Ga3 by Materials Project

Abstract

K2Ga3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to five K and nine Ga atoms. There are one shorter (3.28 Å) and four longer (3.75 Å) K–K bond lengths. There are eight shorter (3.74 Å) and one longer (3.76 Å) K–Ga bond lengths. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent K and four equivalent Ga atoms. All K–Ga bond lengths are 3.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent K and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five K and four equivalent Ga atoms.