Materials Data on Sb2I2F11 by Materials Project

Abstract

Sb2I2F11 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two Sb2I2F11 ribbons oriented in the (-1, 0, 1) direction. Sb+0.50+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Sb–F bond distances ranging from 1.90–2.07 Å. I5+ is bonded in a distorted linear geometry to one I5+ and one F1- atom. The I–I bond length is 2.62 Å. The I–F bond length is 2.78 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+0.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+0.50+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Sb+0.50+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+0.50+ and one I5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.50+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+0.50+ atom.