Single Crystal X‐ray Diffraction Study of CsHSi2O5

Abstract

AbstractHydrothermally synthesized CsHSi2O5 was studied by single‐crystal X‐ray diffraction. The compound is orthorhombic (space group Pnma). Unit cell parameters are a = 4.9758(3), b = 8.8089(6), c = 12.9295(9) Å with four formula units per cell. The structure was solved by direct methods and refined to a residual R1 = 0.025 for 621 independent observed reflections with I > 2σ(I) and 41 parameters. Residual electron densities were used to locate positions of the H atoms. They are part of silanol groups and show a disorder involving two positions related by a center of symmetry. The resulting O—H···O distance of 2.44 Å is one of the shortest hydrogen bonded O···O distances in inorganic compounds containing silanol groups. The structure belongs to the class of unbranched zweier double chain silicates. The [Si2O4(OH)—] chains run parallel [100]. Cesium cations providing additional linkage between the anionic ribbons reside in voids between the chains and coordinate to nine oxygen ligands.