Materials Data on RbAs4(HO4)3 by Materials Project

Abstract

Rb(AsO3)2(HAsO2)2HO2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two arsonous acid molecules, one water water molecule, and one Rb(AsO3)2 cluster. In the Rb(AsO3)2 cluster, Rb1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) Rb–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.34–1.93 Å. In the second As5+ site, As5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.43–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Rb1+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one As5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one As5+ atom.