Materials Data on FeP4(C2O5)2 by Materials Project

Abstract

Fe(CO)4(P2O3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetraphosphorus hexaoxide molecules and four Fe(CO)4 clusters. In each Fe(CO)4 cluster, Fe2+ is bonded in a trigonal pyramidal geometry to four C+0.50- atoms. There are a spread of Fe–C bond distances ranging from 1.78–1.81 Å. There are four inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe2+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.50- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.50- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.50- atom.