Materials Data on BaTh by Materials Project

Abstract

BaTh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Th atoms to form BaBa6Th6 cuboctahedra that share corners with eighteen equivalent BaBa6Th6 cuboctahedra, edges with six equivalent BaBa6Th6 cuboctahedra, edges with twelve equivalent ThBa6Th6 cuboctahedra, faces with eight equivalent BaBa6Th6 cuboctahedra, and faces with twelve equivalent ThBa6Th6 cuboctahedra. All Ba–Ba bond lengths are 3.78 Å. All Ba–Th bond lengths are 3.92 Å. Th is bonded to six equivalent Ba and six equivalent Th atoms to form ThBa6Th6 cuboctahedra that share corners with eighteen equivalent ThBa6Th6 cuboctahedra, edges with six equivalent ThBa6Th6 cuboctahedra, edges with twelve equivalent BaBa6Th6 cuboctahedra, faces with eight equivalent ThBa6Th6 cuboctahedra, and faces with twelve equivalent BaBa6Th6 cuboctahedra. All Th–Th bond lengths are 3.78 Å.