Materials Data on Sr(RhO2)4 by Materials Project

Sr(RhO2)4 is pyrite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.71 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are three shorter (2.00 Å) and three longer (2.09 Å) Rh–O bond lengths. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Rh–O bond distances ranging from 1.94–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Rh+3.50+ atoms. In the fourth O2- site, O2- is bonded to one Sr2+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSrRh3 trigonal pyramids.