Materials Data on MnSb2F12 by Materials Project

Abstract

MnSb2F12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MnSb2F12 sheet oriented in the (0, 0, 1) direction. Mn2+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Mn–F bond distances ranging from 1.76–2.79 Å. Sb5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.64–2.43 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Mn2+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mn2+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mn2+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.