KGaF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(4), two equivalent F(2), and four equivalent F(1) atoms. Ga(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Ga(1) atoms. In the second F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ga(1) atoms. In the third F site, F(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Ga(1) atoms. In the fourth F site, F(1) is bonded to one K(1), two equivalent K(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FK3Ga tetrahedra. In the fifth F site, F(2) is bonded to one K(2), two equivalent K(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FK3Ga tetrahedra.
KGaF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. The K(1)-F(5) bond length is 2.92 Å. Both K(1)-F(1) bond lengths are 2.66 Å. Both K(1)-F(3) bond lengths are 3.08 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) K(1)-F(2) bond lengths. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(4), two equivalent F(2), and four equivalent F(1) atoms. The K(2)-F(4) bond length is 2.82 Å. Both K(2)-F(2) bond lengths are 2.62 Å. There are two shorter (2.61 Å) and two longer (2.64 Å) K(2)-F(1) bond lengths. Ga(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. The Ga(1)-F(1) bond length is 1.84 Å. The Ga(1)-F(2) bond length is 1.84 Å. The Ga(1)-F(4) bond length is 1.94 Å. The Ga(1)-F(5) bond length is 1.94 Å. Both Ga(1)-F(3) bond lengths are 1.94 Å. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Ga(1) atoms. In the second F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ga(1) atoms. In the third F site, F(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Ga(1) atoms. In the fourth F site, F(1) is bonded to one K(1), two equivalent K(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FK3Ga tetrahedra. In the fifth F site, F(2) is bonded to one K(2), two equivalent K(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FK3Ga tetrahedra.