Materials Data on CeC8N4(Cl2O3)2 by Materials Project

Abstract

CeN2(O3Cl2)2(C4N)2 is Fluorite structured and crystallizes in the tetragonal I-4m2 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two CeN2(O3Cl2)2 clusters. In each CeN2(O3Cl2)2 cluster, Ce4+ is bonded in a distorted hexagonal bipyramidal geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ce–O bond lengths are 2.57 Å. All Ce–Cl bond lengths are 2.64 Å. N3- is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.20 Å) and two longer (1.31 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ce4+ and one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Ce4+ atom.