Materials Data on Cs3Sr by Materials Project
Cs3Sr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded to eight equivalent Cs and four equivalent Sr atoms to form distorted CsCs8Sr4 cuboctahedra that share corners with four equivalent SrCs12 cuboctahedra, corners with fourteen equivalent CsCs8Sr4 cuboctahedra, edges with six equivalent SrCs12 cuboctahedra, edges with twelve equivalent CsCs8Sr4 cuboctahedra, faces with four equivalent SrCs12 cuboctahedra, and faces with sixteen equivalent CsCs8Sr4 cuboctahedra. There are a spread of Cs–Cs bond distances ranging from 5.05–5.29 Å. There are two shorter (5.03 Å) and two longer (5.17 Å) Cs–Sr bond lengths. Sr is bonded to twelve equivalent Cs atoms to form distorted SrCs12 cuboctahedra that share corners with six equivalent SrCs12 cuboctahedra, corners with twelve equivalent CsCs8Sr4 cuboctahedra, edges with eighteen equivalent CsCs8Sr4 cuboctahedra, faces with eight equivalent SrCs12 cuboctahedra, and faces with twelve equivalent CsCs8Sr4 cuboctahedra.