CrZrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form ZrF6 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(2) and four F(1,1,1) atoms to form CrF6 octahedra that share corners with six equivalent Zr(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 Zr(1) and one Cr(1) atom. In the second F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the third F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the fourth F site, F(2) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the fifth F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom.
CrZrF6 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form ZrF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedra are not tilted. Both Zr(1)-F(2) bond lengths are 2.02 Å. All Zr(1)-F(1,1,1) bond lengths are 2.05 Å. Cr(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form CrF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedra are not tilted. Both Cr(1)-F(2) bond lengths are 2.31 Å. All Cr(1)-F(1,1,1) bond lengths are 2.05 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the second F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the third F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the fourth F site, F(2) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. In the fifth F site, F(1) is bonded in a linear geometry to one Zr(1) and one Cr(1) atom. The F(1)-Zr(1) bond length is 2.05 Å. The F(1)-Cr(1) bond length is 2.05 Å.