NbCrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Nb(1) is bonded to two equivalent F(1) and four F(2,2,2) atoms to form NbF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to two equivalent F(1) and four F(2,2,2) atoms to form CrF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the third F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the fourth F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the fifth F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom.
NbCrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Nb(1) is bonded to two equivalent F(1) and four F(2,2,2) atoms to form NbF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedra are not tilted. Both Nb(1)-F(1) bond lengths are 1.94 Å. All Nb(1)-F(2,2,2) bond lengths are 2.05 Å. Cr(1) is bonded to two equivalent F(1) and four F(2,2,2) atoms to form CrF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra. The corner-sharing octahedra are not tilted. Both Cr(1)-F(1) bond lengths are 2.41 Å. All Cr(1)-F(2,2,2) bond lengths are 2.03 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the third F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the fourth F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. In the fifth F site, F(2) is bonded in a linear geometry to one Nb(1) and one Cr(1) atom. The F(2)-Nb(1) bond length is 2.05 Å. The F(2)-Cr(1) bond length is 2.03 Å.