Materials Data on NaTeH6O6F by Materials Project
NaH6TeO6F crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.39 Å) and three longer (2.66 Å) Na–O bond lengths. The Na–F bond length is 2.42 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.51 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent H1+ atoms.