Single Crystal X‐ray Diffraction Study of CsHSi₂O₅

Abstract

Hydrothermally synthesized CsHSi 2 O 5 was studied by single-crystal X-ray diffraction. The compound is orthorhombic (space group Pnma). Unit cell parameters are a ϭ 4.9758(3), b ϭ 8.8089 (6), c ϭ 12.9295(9) Å with four formula units per cell. The structure was solved by direct methods and refined to a residual R 1 ϭ 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 OϪH···O distance of 2.44 Å is one of the shortest

Pseudo-micropores formed by one-dimensional framework with hydrogen bonding in CsHSi2O5 observed by synchrotron powder diffraction and solid-state MAS NMR

“…[8][9][10][11][12][13][14][15][16][17] However, such linear silicates that include only a caesium (Cs) cation have been barely reported. In this study, we report a low-dimensional caesium silicate (abbreviated as LDS-1), 18 which is a very similar polymorph of CsHSi 2 O 5 reported by Do¨rsam et al 19 LDS-1 was obtained under solidstate reaction conditions. The crystal structure of CsHSi 2 O 5 comprises alternating alignments of zigzagged silica frameworks, and the Cs cations are stabilized in the elliptical spaces formed by the chain-like framework.…”

“…Structural distortion of the framework depended on the charge balance among the open framework, Cs + ions, and protons. Do¨rsam et al 19 also reported this unusually short bond length due to tetrahedra distortion for CsHSi 2 O 5 . The nearest atomic distance between adjacent silanol groups was short, that is, l(O-O) was only ca.…”