Materials Data on CeS4(N2O9)2 by Materials Project
Ce(SO4)4(N2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four oxygen molecules, and two Ce(SO4)4 clusters. In each Ce(SO4)4 cluster, Ce4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.51 Å. There are four inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. In the second S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the third S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. In the fourth S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ce4+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one S4+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Ce4+ and one S4+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one S4+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted water-like geometry to one Ce4+ and one S4+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted water-like geometry to one Ce4+ and one S4+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom.