Materials Data on Ba3Ca by Materials Project

Abstract

Ba3Ca 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 Ca atoms to form BaBa8Ca4 cuboctahedra that share corners with twelve equivalent BaBa8Ca4 cuboctahedra, edges with eight equivalent CaBa12 cuboctahedra, edges with sixteen equivalent BaBa8Ca4 cuboctahedra, faces with four equivalent CaBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Ca4 cuboctahedra. All Ba–Ba bond lengths are 4.38 Å. All Ba–Ca bond lengths are 4.38 Å. Ca is bonded to twelve equivalent Ba atoms to form CaBa12 cuboctahedra that share corners with twelve equivalent CaBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Ca4 cuboctahedra, faces with six equivalent CaBa12 cuboctahedra, and faces with twelve equivalent BaBa8Ca4 cuboctahedra.