Materials Data on SbH7F12 by Materials Project

Abstract

SbH7F12 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two SbH7F12 ribbons oriented in the (-1, 0, 1) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.90 Å) and two longer (1.97 Å) Sb–F bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.40 Å) H–F bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.03 Å) and one longer (1.33 Å) H–F bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.07 Å) and one longer (1.25 Å) H–F bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.