Materials Data on K3Ge4Au by Materials Project

Abstract

K3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to two equivalent Au and four equivalent Ge atoms. Both K–Au bond lengths are 3.43 Å. There are two shorter (3.56 Å) and two longer (3.78 Å) K–Ge bond lengths. In the second K site, K is bonded in a 1-coordinate geometry to one Au and eight Ge atoms. The K–Au bond length is 3.32 Å. There are a spread of K–Ge bond distances ranging from 3.56–3.80 Å. Au is bonded in a 8-coordinate geometry to four K and four Ge atoms. There are two shorter (2.65 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six K, one Au, and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent K, one Au, and two equivalent Ge atoms.