K3GaSe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Ga(1), two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. Ga(1) is bonded to one K(2), one Se(2), one Se(3), and two equivalent Se(1) atoms to form distorted edge-sharing GaKSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), and two equivalent Ga(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ga(1) atom. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(3), three equivalent K(2), and one Ga(1) atom.
K3GaSe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. The K(1)-Se(1) bond length is 3.25 Å. There is one shorter (3.35 Å) and one longer (3.66 Å) K(1)-Se(2) bond length. Both K(1)-Se(3) bond lengths are 3.30 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Ga(1), two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. The K(2)-Ga(1) bond length is 3.47 Å. There is one shorter (3.33 Å) and one longer (3.39 Å) K(2)-Se(1) bond length. There is one shorter (3.33 Å) and one longer (3.51 Å) K(2)-Se(2) bond length. There are a spread of K(2)-Se(3) bond distances ranging from 3.53-3.88 Å. In the third K site, K(3) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. The K(3)-Se(1) bond length is 3.57 Å. There is one shorter (3.24 Å) and one longer (3.34 Å) K(3)-Se(2) bond length. There is one shorter (3.30 Å) and one longer (3.32 Å) K(3)-Se(3) bond length. Ga(1) is bonded to one K(2), one Se(2), one Se(3), and two equivalent Se(1) atoms to form distorted edge-sharing GaKSe4 tetrahedra. The Ga(1)-Se(2) bond length is 2.40 Å. The Ga(1)-Se(3) bond length is 2.37 Å. There is one shorter (2.46 Å) and one longer (2.50 Å) Ga(1)-Se(1) bond length. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), and two equivalent Ga(1) atoms. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ga(1) atom. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(3), three equivalent K(2), and one Ga(1) atom.