Materials Data on MnH16C4N(OF2)2 by Materials Project

Abstract

MnH4(OF2)2N(CH3)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four MnH4(OF2)2 clusters. In each MnH4(OF2)2 cluster, Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Mn–O bond lengths are 2.31 Å. There is two shorter (1.86 Å) and two longer (1.92 Å) Mn–F bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Mn2+ atom.