Materials Data on Cr2HO4 by Materials Project
Cr2HO4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Cr+3.50+ sites. In the first Cr+3.50+ site, Cr+3.50+ is bonded to six O2- atoms to form edge-sharing CrO6 octahedra. There is two shorter (1.94 Å) and four longer (2.02 Å) Cr–O bond length. In the second Cr+3.50+ site, Cr+3.50+ is bonded to six O2- atoms to form edge-sharing CrO6 octahedra. There are four shorter (1.97 Å) and two longer (2.04 Å) Cr–O bond lengths. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cr+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cr+3.50+ and one H1+ atom.