Materials Data on CaGaGe by Materials Project

Kristin Persson
CaGaGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six equivalent Ge atoms to form CaGe6 octahedra that share corners with six equivalent GaCa3Ge3 octahedra, edges with six equivalent CaGe6 octahedra, and edges with six equivalent GaCa3Ge3 octahedra. The corner-sharing octahedral tilt angles are 21°. All Ca–Ge bond lengths are 3.12 Å. In the second Ca site,...
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