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BeCo is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Be–Co bond lengths are 2.24 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Be atoms.
Be3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be is bonded to eight equivalent Be and four equivalent Co atoms to form distorted BeBe8Co4 cuboctahedra that share corners with four equivalent CoBe12 cuboctahedra, corners with fourteen equivalent BeBe8Co4 cuboctahedra, edges with six equivalent CoBe12 cuboctahedra, edges with twelve equivalent BeBe8Co4 cuboctahedra, faces with four equivalent CoBe12 cuboctahedra, and faces with sixteen equivalent BeBe8Co4 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.25–2.31 Å. There are two shorter (2.25 Å) and two longer (2.30 Å) Be–Co bond lengths. Co is bonded to twelve equivalent Be atoms to form CoBe12 cuboctahedra that share corners with six equivalent CoBe12 cuboctahedra, corners with twelve equivalent BeBe8Co4 cuboctahedra, edges with eighteen equivalent BeBe8Co4 cuboctahedra, faces with eight equivalent CoBe12 cuboctahedra, and faces with twelve equivalent BeBe8Co4 cuboctahedra.