KGa3 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 15-coordinate geometry to one K(1), two equivalent K(2), two equivalent Ga(3), four equivalent Ga(1), and six equivalent Ga(2) atoms. In the second K site, K(2) is bonded in a 16-coordinate geometry to four equivalent K(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one K(2), two equivalent K(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent K(2), three equivalent K(1), one Ga(2), one Ga(3), and three equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a distorted body-centered cubic geometry to four equivalent K(1) and four equivalent Ga(2) atoms.
KGa3 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 15-coordinate geometry to one K(1), two equivalent K(2), two equivalent Ga(3), four equivalent Ga(1), and six equivalent Ga(2) atoms. The K(1)-K(1) bond length is 3.63 Å. Both K(1)-K(2) bond lengths are 3.63 Å. Both K(1)-Ga(3) bond lengths are 3.63 Å. All K(1)-Ga(1) bond lengths are 3.65 Å. There are two shorter (3.65 Å) and four longer (3.66 Å) K(1)-Ga(2) bond lengths. In the second K site, K(2) is bonded in a 16-coordinate geometry to four equivalent K(1), four equivalent Ga(1), and eight equivalent Ga(2) atoms. All K(2)-Ga(1) bond lengths are 3.51 Å. All K(2)-Ga(2) bond lengths are 3.70 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one K(2), two equivalent K(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. There is one shorter (2.56 Å) and two longer (2.72 Å) Ga(1)-Ga(1) bond lengths. There is one shorter (2.58 Å) and two longer (2.76 Å) Ga(1)-Ga(2) bond lengths. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent K(2), three equivalent K(1), one Ga(2), one Ga(3), and three equivalent Ga(1) atoms. The Ga(2)-Ga(2) bond length is 2.42 Å. The Ga(2)-Ga(3) bond length is 2.48 Å. In the third Ga site, Ga(3) is bonded in a distorted body-centered cubic geometry to four equivalent K(1) and four equivalent Ga(2) atoms.