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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KGe by Materials Project

KGe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded to six equivalent Ge atoms to form a mixture of edge and corner-sharing KGe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–Ge bond lengths are 3.41 Å. Ge is bonded to six equivalent K atoms to form a mixture of edge and corner-sharing GeK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KGe by Materials Project

KGe crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to eight equivalent Ge atoms. There are a spread of K–Ge bond distances ranging from 3.59–3.75 Å. In the second K site, K is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are a spread of K–Ge bond distances ranging from 3.58–3.65 Å. Ge is bonded in a 10-coordinate geometry to seven K and three equivalent Ge atoms. There are two shorter (2.61 Å) and one longer (2.62 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗