Materials Data on FeH4C3O8 by Materials Project
FeC3H2O7H2O crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one FeC3H2O7 ribbon oriented in the (0, 0, 1) direction. In the FeC3H2O7 ribbon, Fe2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.97–2.12 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the third C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe2+ and one C+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe2+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+ and one C+3.33+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+ and one C+3.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe2+ and one C+3.33+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe2+ and two H1+ atoms.