Ca(BeAs)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent As(1) atoms to form CaAs6 octahedra that share corners with twelve equivalent Be(1)As4 tetrahedra, edges with six equivalent Ca(1)As6 octahedra, and edges with six equivalent Be(1)As4 tetrahedra. Be(1) is bonded to four equivalent As(1) atoms to form BeAs4 tetrahedra that share corners with six equivalent Ca(1)As6 octahedra, corners with six equivalent Be(1)As4 tetrahedra, edges with three equivalent Ca(1)As6 octahedra, and edges with three equivalent Be(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. As(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Be(1) atoms.
Ca(BeAs)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent As(1) atoms to form CaAs6 octahedra that share corners with twelve equivalent Be(1)As4 tetrahedra, edges with six equivalent Ca(1)As6 octahedra, and edges with six equivalent Be(1)As4 tetrahedra. All Ca(1)-As(1) bond lengths are 2.94 Å. Be(1) is bonded to four equivalent As(1) atoms to form BeAs4 tetrahedra that share corners with six equivalent Ca(1)As6 octahedra, corners with six equivalent Be(1)As4 tetrahedra, edges with three equivalent Ca(1)As6 octahedra, and edges with three equivalent Be(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. All Be(1)-As(1) bond lengths are 2.33 Å. As(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Be(1) atoms.