K4BeAs2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent As(1) atoms. In the second K site, K(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. Be(1) is bonded in a linear geometry to six equivalent K(1) and two equivalent As(1) atoms. As(1) is bonded in a distorted body-centered cubic geometry to three equivalent K(1), four equivalent K(2), and one Be(1) atom.
K4BeAs2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent As(1) atoms. All K(1)-Be(1) bond lengths are 3.46 Å. All K(1)-As(1) bond lengths are 3.42 Å. In the second K site, K(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. There is one shorter (3.31 Å) and three longer (3.48 Å) K(2)-As(1) bond lengths. Be(1) is bonded in a linear geometry to six equivalent K(1) and two equivalent As(1) atoms. Both Be(1)-As(1) bond lengths are 2.07 Å. As(1) is bonded in a distorted body-centered cubic geometry to three equivalent K(1), four equivalent K(2), and one Be(1) atom.