Materials Data on RhC2ClO2 by Materials Project

Abstract

RhC2O2Cl is Theoretical Carbon Structure structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight RhC2O2Cl clusters. Rh3+ is bonded in a rectangular see-saw-like geometry to two C1+ and two equivalent Cl1- atoms. Both Rh–C bond lengths are 1.85 Å. There are one shorter (2.40 Å) and one longer (2.41 Å) Rh–Cl bond lengths. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Rh3+ atoms.