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Materials Data on K2Ag2GeS4 by Materials Project

K2Ag2GeS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with four equivalent KS6 octahedra, edges with four equivalent KS6 octahedra, and edges with three equivalent GeS4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of K–S bond distances ranging from 3.27–3.49 Å. Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are two shorter (2.43 Å) and two longer (3.20 Å) Ag–S bond lengths. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share edges with six equivalent KS6 octahedra. All Ge–S bond lengths are 2.26 Å. S2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Ag1+, and one Ge4+ atom.

36 MATERIALS SCIENCE↗