Materials Data on VINCl3 by Materials Project

Abstract

VNICl3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one VNICl3 ribbon oriented in the (1, 1, 0) direction. V5+ is bonded in a 1-coordinate geometry to one N1- and four Cl1- atoms. The V–N bond length is 2.38 Å. There are a spread of V–Cl bond distances ranging from 1.83–2.54 Å. N1- is bonded in a 4-coordinate geometry to one V5+, one I1-, and two Cl1- atoms. The N–I bond length is 2.47 Å. There are one shorter (2.13 Å) and one longer (3.06 Å) N–Cl bond lengths. I1- is bonded in a 1-coordinate geometry to one N1- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one V5+ and one N1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ and one N1- atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms.