Materials Data on ZnSnF5 by Materials Project

Abstract

ZnSnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zn2+ is bonded in a distorted see-saw-like geometry to four F1- atoms. There are a spread of Zn–F bond distances ranging from 1.94–2.02 Å. Sn3+ is bonded to six F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sn–F bond distances ranging from 2.13–2.17 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sn3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sn3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Zn2+ and one Sn3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Zn2+ and one Sn3+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn3+ atoms.