Materials Data on CsBa3 by Materials Project

Abstract

CsBa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Ba atoms to form CsBa12 cuboctahedra that share corners with twelve equivalent CsBa12 cuboctahedra, edges with twenty-four equivalent BaCs4Ba8 cuboctahedra, faces with six equivalent CsBa12 cuboctahedra, and faces with twelve equivalent BaCs4Ba8 cuboctahedra. All Cs–Ba bond lengths are 4.67 Å. Ba is bonded to four equivalent Cs and eight equivalent Ba atoms to form BaCs4Ba8 cuboctahedra that share corners with twelve equivalent BaCs4Ba8 cuboctahedra, edges with eight equivalent CsBa12 cuboctahedra, edges with sixteen equivalent BaCs4Ba8 cuboctahedra, faces with four equivalent CsBa12 cuboctahedra, and faces with fourteen equivalent BaCs4Ba8 cuboctahedra. All Ba–Ba bond lengths are 4.67 Å.