KGaTe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form corner-sharing GaTe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form corner-sharing GaTe4 tetrahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(2) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(1) atoms.
KGaTe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. The K(1)-Te(1) bond length is 3.64 Å. The K(1)-Te(3) bond length is 3.67 Å. The K(1)-Te(4) bond length is 3.68 Å. The K(1)-Te(5) bond length is 3.68 Å. Both K(1)-Te(2) bond lengths are 3.68 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), one Te(4), one Te(5), and two equivalent Te(2) atoms. The K(2)-Te(1) bond length is 3.52 Å. The K(2)-Te(3) bond length is 3.55 Å. The K(2)-Te(4) bond length is 3.67 Å. The K(2)-Te(5) bond length is 3.69 Å. There is one shorter (3.67 Å) and one longer (3.68 Å) K(2)-Te(2) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), one Te(3), and one Te(5) atom to form corner-sharing GaTe4 tetrahedra. The Ga(1)-Te(1) bond length is 2.63 Å. The Ga(1)-Te(2) bond length is 2.61 Å. The Ga(1)-Te(3) bond length is 2.64 Å. The Ga(1)-Te(5) bond length is 2.61 Å. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Te(4) atom to form corner-sharing GaTe4 tetrahedra. The Ga(2)-Te(1) bond length is 2.64 Å. The Ga(2)-Te(2) bond length is 2.62 Å. The Ga(2)-Te(3) bond length is 2.65 Å. The Ga(2)-Te(4) bond length is 2.62 Å. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Ga(1), and one Ga(2) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(2) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), and two equivalent Ga(1) atoms.