NiCu3F6 crystallizes in the triclinic P-1 space group. Ni(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to two equivalent F(1) and two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ni(1) and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ni(1), one Cu(1), and one Cu(3) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one Cu(2) atom.
NiCu3F6 crystallizes in the triclinic P-1 space group. Ni(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Ni(1)-F(1) bond lengths are 2.02 Å. Both Ni(1)-F(2) bond lengths are 2.04 Å. Both Ni(1)-F(3) bond lengths are 2.00 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent F(2) atoms. Both Cu(1)-F(2) bond lengths are 1.82 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent F(3) atoms. Both Cu(2)-F(3) bond lengths are 1.80 Å. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Cu(3)-F(1) bond lengths are 1.83 Å. Both Cu(3)-F(2) bond lengths are 2.49 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ni(1) and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ni(1), one Cu(1), and one Cu(3) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one Cu(2) atom.