Materials Data on Na2PtF6 by Materials Project
Na2PtF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent PtF6 octahedra, corners with six equivalent NaF6 octahedra, and an edgeedge with one PtF6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Na–F bond distances ranging from 2.31–2.44 Å. In the second Na1+ site, Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with two equivalent PtF6 octahedra, corners with six equivalent NaF6 octahedra, and edges with two equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Na–F bond distances ranging from 2.24–2.36 Å. There are two inequivalent Pt4+ sites. In the first Pt4+ site, Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent NaF6 octahedra and edges with three equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Pt–F bond lengths are 1.97 Å. In the second Pt4+ site, Pt4+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six equivalent NaF6 octahedra and edges with three equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There is three shorter (1.97 Å) and three longer (1.98 Å) Pt–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two Na1+ and one Pt4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two Na1+ and one Pt4+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two Na1+ and one Pt4+ atom.