Abstract
A new microporous lithosilicate, Cs 10(Li,H) 14[Li 8Si 40O 96]·12H 2O, was synthesised under hydrothermal conditions. The crystal structure has been solved and refined from single-crystal data in the space group P2 1 to R=14%. The three-dimensional (3D) silicate framework contains lithium as cations on T sites in the centre of spiro-5 units that are charge-balanced by non-framework caesium, lithium and hydrogen cations. The hydrate water in the pores can be removed, and the structure is stable up to ∼300°C. The experimental density of the as-synthesised crystal is 2.62 g cm −3; the framework density is calculated to be 17.7 T/1000 Å. The channel system is one-dimensional for 10-membered ring (10-MR) channels which are connected to 8-MRs running parallel to the 10-MRs. The connection is established by 8-MR pore openings. In principle, this allows the 3D diffusion of (at least) small molecules. Chemical analysis, 29Si, 7Li and 133Cs solid-state nuclear magnetic resonance (NMR) spectroscopy, thermal analysis, infrared (IR) spectroscopy and X-ray structure analysis are all consistent and agree with crystal–chemical reasoning based on the flexibility of [TO 4] units in silicates which are required to build 3-MRs as observed in spiro-5 units.
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