Materials Data on SbNClF3 by Materials Project

Abstract

N2(SbClF3)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight ammonia molecules and two SbClF3 sheets oriented in the (0, 0, 1) direction. In each SbClF3 sheet, Sb3+ is bonded in a 5-coordinate geometry to two equivalent Cl1- and three F1- atoms. There are one shorter (2.67 Å) and one longer (2.79 Å) Sb–Cl bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. Cl1- is bonded in a 8-coordinate geometry to two equivalent Sb3+ and six F1- atoms. There are a spread of Cl–F bond distances ranging from 2.94–3.26 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and two equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and one Cl1- atom.