DOE OSTI2020
NaHo2F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.40–2.85 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ho–F bond distances ranging from 2.13–2.41 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ho–F bond distances ranging from 2.08–2.44 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Ho3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ho3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ho3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Ho3+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Ho3+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ho3+ atoms. In the seventh F1- site, F1- is bonded to three equivalent Na1+ and one Ho3+ atom to form distorted corner-sharing FNa3Ho tetrahedra.