Materials Data on Sc(NF2)3 by Materials Project

Abstract

Sc(NF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Sc(NF2)3 ribbons oriented in the (1, 1, 0) direction. Sc3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sc–F bond distances ranging from 1.90–2.34 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.82 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one F1- atom. The N–F bond length is 1.39 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sc3+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Sc3+ and one N1+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sc3+ and one N1+ atom.