Materials Data on CeN2Cl5 by Materials Project
CeCl4N2Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four N2Cl clusters and two CeCl4 ribbons oriented in the (1, 0, 0) direction. In each N2Cl cluster, N1+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.53 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent N1+ atoms. In each CeCl4 ribbon, Ce3+ is bonded to six Cl1- atoms to form edge-sharing CeCl6 octahedra. There are a spread of Ce–Cl bond distances ranging from 2.51–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ce3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ce3+ atom.