Li2CaHfF8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a tetrahedral geometry to four equivalent F(2) atoms. Ca(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Hf(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one Hf(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ca(1), and one Hf(1) atom.
Li2CaHfF8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. All Li(1)-F(1) bond lengths are 1.87 Å. In the second Li site, Li(2) is bonded in a tetrahedral geometry to four equivalent F(2) atoms. All Li(2)-F(2) bond lengths are 1.88 Å. Ca(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All Ca(1)-F(1) bond lengths are 2.37 Å. All Ca(1)-F(2) bond lengths are 2.29 Å. Hf(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All Hf(1)-F(1) bond lengths are 2.07 Å. All Hf(1)-F(2) bond lengths are 2.13 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one Hf(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ca(1), and one Hf(1) atom.