Materials Data on NpMn(OF2)3 by Materials Project

Abstract

NpMn2O5F8NpOF4 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two NpMn2O5F8 clusters and two NpOF4 clusters. In each NpMn2O5F8 cluster, Np5+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The Np–O bond length is 1.80 Å. There are four shorter (2.03 Å) and two longer (2.51 Å) Np–F bond lengths. Mn7+ is bonded in a tetrahedral geometry to two O2- and two F1- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) Mn–O bond length. Both Mn–F bond lengths are 1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Mn7+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Np5+ and one Mn7+ atom. In each NpOF4 cluster, Np5+ is bonded in a distorted square pyramidal geometry to one O2- and four F1- atoms. The Np–O bond length is 1.83 Å. There are two shorter (2.03 Å) and two longer (2.04 Å) Np–F bond lengths. O2- is bonded in a single-bond geometry to one Np5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom.