Materials Data on Rb2PtBr4O by Materials Project

Abstract

Rb2PtOBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to one O2- and eight Br1- atoms. The Rb–O bond length is 2.95 Å. There are a spread of Rb–Br bond distances ranging from 3.56–3.74 Å. Pt4+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Pt–Br bond distances ranging from 2.44–2.46 Å. O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Br1- atoms. Both O–Br bond lengths are 3.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Pt4+, and one O2- atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Pt4+ atom. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one Pt4+ atom to form distorted edge-sharing BrRb4Pt square pyramids.