K2GaAs2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Ga(2), one As(2), one As(3), two equivalent As(1), and two equivalent As(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(3), two equivalent As(2), and two equivalent As(4) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one Ga(1), two equivalent Ga(2), one As(2), one As(4), two equivalent As(1), and two equivalent As(3) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal planar geometry to one K(3), two equivalent K(1), one As(1), one As(2), and one As(3) atom. In the second Ga site, Ga(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), two equivalent K(3), one As(1), one As(3), and one As(4) atom. There are four inequivalent As sites. In the first As site, As(3) is bonded in a 8-coordinate geometry to one K(1), one K(2), two equivalent K(3), two equivalent K(4), one Ga(1), and one Ga(2) atom. In the second As site, As(4) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), one Ga(2), and one As(2) atom. In the third As site, As(1) is bonded in a 7-coordinate geometry to one K(4), two equivalent K(1), two equivalent K(3), one Ga(1), and one Ga(2) atom. In the fourth As site, As(2) is bonded in a 1-coordinate geometry to one K(1), one K(3), one K(4), two equivalent K(2), one Ga(1), and one As(4) atom.
K2GaAs2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Ga(2), one As(2), one As(3), two equivalent As(1), and two equivalent As(4) atoms. There is one shorter (3.46 Å) and one longer (3.60 Å) K(1)-Ga(1) bond length. There is one shorter (3.43 Å) and one longer (3.65 Å) K(1)-Ga(2) bond length. The K(1)-As(2) bond length is 3.61 Å. The K(1)-As(3) bond length is 3.77 Å. There is one shorter (3.28 Å) and one longer (3.69 Å) K(1)-As(1) bond length. There is one shorter (3.45 Å) and one longer (3.48 Å) K(1)-As(4) bond length. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(3), two equivalent As(2), and two equivalent As(4) atoms. The K(2)-As(3) bond length is 3.33 Å. There is one shorter (3.41 Å) and one longer (3.50 Å) K(2)-As(2) bond length. There is one shorter (3.39 Å) and one longer (3.45 Å) K(2)-As(4) bond length. In the third K site, K(3) is bonded in a 9-coordinate geometry to one Ga(1), two equivalent Ga(2), one As(2), one As(4), two equivalent As(1), and two equivalent As(3) atoms. The K(3)-Ga(1) bond length is 3.56 Å. There is one shorter (3.63 Å) and one longer (3.73 Å) K(3)-Ga(2) bond length. The K(3)-As(2) bond length is 3.46 Å. The K(3)-As(4) bond length is 3.70 Å. There is one shorter (3.52 Å) and one longer (3.59 Å) K(3)-As(1) bond length. There is one shorter (3.52 Å) and one longer (3.67 Å) K(3)-As(3) bond length. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. The K(4)-As(1) bond length is 3.26 Å. The K(4)-As(2) bond length is 3.41 Å. There is one shorter (3.35 Å) and one longer (3.40 Å) K(4)-As(3) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal planar geometry to one K(3), two equivalent K(1), one As(1), one As(2), and one As(3) atom. The Ga(1)-As(1) bond length is 2.38 Å. The Ga(1)-As(2) bond length is 2.38 Å. The Ga(1)-As(3) bond length is 2.41 Å. In the second Ga site, Ga(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1), two equivalent K(3), one As(1), one As(3), and one As(4) atom. The Ga(2)-As(1) bond length is 2.40 Å. The Ga(2)-As(3) bond length is 2.40 Å. The Ga(2)-As(4) bond length is 2.38 Å. There are four inequivalent As sites. In the first As site, As(3) is bonded in a 8-coordinate geometry to one K(1), one K(2), two equivalent K(3), two equivalent K(4), one Ga(1), and one Ga(2) atom. In the second As site, As(4) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), one Ga(2), and one As(2) atom. The As(4)-As(2) bond length is 2.46 Å. In the third As site, As(1) is bonded in a 7-coordinate geometry to one K(4), two equivalent K(1), two equivalent K(3), one Ga(1), and one Ga(2) atom. In the fourth As site, As(2) is bonded in a 1-coordinate geometry to one K(1), one K(3), one K(4), two equivalent K(2), one Ga(1), and one As(4) atom.