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KZnAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.60 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Zn–As bond lengths are 2.46 Å. As3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.
K4ZnAs2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All K–As bond lengths are 3.47 Å. In the second K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing KAs4 tetrahedra. There are one shorter (3.34 Å) and three longer (3.50 Å) K–As bond lengths. Zn2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Zn–As bond lengths are 2.33 Å. As3- is bonded in a distorted body-centered cubic geometry to seven K1+ and one Zn2+ atom.
KZnAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.59 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Zn–As bond lengths are 2.47 Å. As3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.
K2Zn5As4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (3.40 Å) and two longer (3.48 Å) K–As bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.51–2.67 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.49–2.70 Å. In the third Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.57 Å) and two longer (2.63 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to two equivalent K1+ and five Zn2+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to two equivalent K1+ and five Zn2+ atoms.