CsNiGaF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra and corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-71°. Ni(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Ga(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. Ga(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form GaF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ga(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Ga(1) atom.
CsNiGaF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form distorted CsF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra and corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-71°. The Cs(1)-F(1) bond length is 3.26 Å. The Cs(1)-F(2) bond length is 3.02 Å. All Cs(1)-F(3) bond lengths are 3.14 Å. Ni(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Ga(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. Both Ni(1)-F(2) bond lengths are 1.97 Å. All Ni(1)-F(3) bond lengths are 2.01 Å. Ga(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form GaF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. Both Ga(1)-F(1) bond lengths are 1.93 Å. All Ga(1)-F(3) bond lengths are 1.88 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ga(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ni(1), and one Ga(1) atom.