Materials Data on ThN3F7 by Materials Project
ThNF6FN2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four azane;hydrofluoride molecules and two ThNF6 ribbons oriented in the (1, 0, 0) direction. In each ThNF6 ribbon, Th4+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Th–F bond distances ranging from 2.16–2.39 Å. N1+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is one shorter (1.31 Å) and two longer (1.94 Å) N–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Th4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one N1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one N1+ atom.