Materials Data on SbSNF6 by Materials Project

Abstract

SbNSF6 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four SbNSF6 ribbons oriented in the (0, 1, 0) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a 1-coordinate geometry to one N5+ and two F1- atoms. There are one shorter (2.56 Å) and one longer (2.58 Å) S–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom.