Materials Data on Ba3Sr by Materials Project

Abstract

Ba3Sr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Sr atoms to form BaBa8Sr4 cuboctahedra that share corners with four equivalent SrBa12 cuboctahedra, corners with fourteen equivalent BaBa8Sr4 cuboctahedra, edges with six equivalent SrBa12 cuboctahedra, edges with twelve equivalent BaBa8Sr4 cuboctahedra, faces with four equivalent SrBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Sr4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.42–4.44 Å. All Ba–Sr bond lengths are 4.43 Å. Sr is bonded to twelve equivalent Ba atoms to form SrBa12 cuboctahedra that share corners with six equivalent SrBa12 cuboctahedra, corners with twelve equivalent BaBa8Sr4 cuboctahedra, edges with eighteen equivalent BaBa8Sr4 cuboctahedra, faces with eight equivalent SrBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sr4 cuboctahedra.