Materials Data on CsGeCl3 by Materials Project
CsGeCl3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent GeCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.89–3.94 Å. Ge2+ is bonded to six equivalent Cl1- atoms to form GeCl6 octahedra that share corners with six equivalent GeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (2.41 Å) and three longer (3.11 Å) Ge–Cl bond lengths. Cl1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and two equivalent Ge2+ atoms.