Materials Data on Ba3Th by Materials Project

Abstract

Ba3Th is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Th atoms to form distorted BaBa8Th4 cuboctahedra that share corners with twelve equivalent BaBa8Th4 cuboctahedra, edges with eight equivalent ThBa12 cuboctahedra, edges with sixteen equivalent BaBa8Th4 cuboctahedra, faces with four equivalent ThBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Th4 cuboctahedra. All Ba–Ba bond lengths are 4.09 Å. All Ba–Th bond lengths are 4.09 Å. Th is bonded to twelve equivalent Ba atoms to form ThBa12 cuboctahedra that share corners with twelve equivalent ThBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Th4 cuboctahedra, faces with six equivalent ThBa12 cuboctahedra, and faces with twelve equivalent BaBa8Th4 cuboctahedra.