Materials Data on SbTe2F6 by Materials Project
SbTe2F6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbTe2F6 ribbon oriented in the (0, 1, 0) direction. Sb2- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.95 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 1-coordinate geometry to two equivalent Te4+ and two F1- atoms. There are one shorter (2.71 Å) and one longer (2.72 Å) Te–Te bond lengths. There are one shorter (2.80 Å) and one longer (3.00 Å) Te–F bond lengths. In the second Te4+ site, Te4+ is bonded in a 2-coordinate geometry to two equivalent Te4+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2- and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb2- and one Te4+ atom.