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Materials Data on Sr3Ac by Materials Project

Sr3Ac is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Ac atoms to form SrSr8Ac4 cuboctahedra that share corners with four equivalent AcSr12 cuboctahedra, corners with fourteen equivalent SrSr8Ac4 cuboctahedra, edges with six equivalent AcSr12 cuboctahedra, edges with twelve equivalent SrSr8Ac4 cuboctahedra, faces with four equivalent AcSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Ac4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.10–4.27 Å. There are two shorter (4.12 Å) and two longer (4.19 Å) Sr–Ac bond lengths. Ac is bonded to twelve equivalent Sr atoms to form AcSr12 cuboctahedra that share corners with six equivalent AcSr12 cuboctahedra, corners with twelve equivalent SrSr8Ac4 cuboctahedra, edges with eighteen equivalent SrSr8Ac4 cuboctahedra, faces with eight equivalent AcSr12 cuboctahedra, and faces with twelve equivalent SrSr8Ac4 cuboctahedra.

36 MATERIALS SCIENCE↗