Materials Data on MnSb2(OF4)2 by Materials Project

Abstract

MnSb2(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MnSb2(OF4)2 sheet oriented in the (-1, 0, 2) direction. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mn–O bond lengths are 1.78 Å. There are two shorter (2.01 Å) and two longer (2.06 Å) Mn–F bond lengths. Sb5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.95–2.16 Å. O2- is bonded in a single-bond geometry to one Mn2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Mn2+ and 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 single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mn2+ and one Sb5+ atom.