Materials Data on Ce3GeS2 by Materials Project
Ce3GeS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Ge and four equivalent S atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. Both Ce–Ge bond lengths are 2.95 Å. There are two shorter (2.88 Å) and two longer (2.91 Å) Ce–S bond lengths. In the second Ce site, Ce is bonded to two equivalent Ge and four equivalent S atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Ge bond lengths are 2.90 Å. All Ce–S bond lengths are 2.89 Å. Ge is bonded to six Ce atoms to form GeCe6 octahedra that share corners with two equivalent GeCe6 octahedra, corners with four equivalent SCe6 octahedra, edges with two equivalent GeCe6 octahedra, and edges with ten equivalent SCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. S is bonded to six Ce atoms to form SCe6 octahedra that share corners with two equivalent GeCe6 octahedra, corners with four equivalent SCe6 octahedra, edges with five equivalent GeCe6 octahedra, and edges with seven equivalent SCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.