Synthesis and crystal structure of gallosilicate- and aluminogermanate tetrahydroborate sodalites Na{sub 8}[GaSiO{sub 4}]{sub 6}(BH{sub 4}){sub 2} and Na{sub 8}[AlGeO{sub 4}]{sub 6}(BH{sub 4}){sub 2}
- Institut fuer Mineralogie, Universitaet Hannover, Welfengarten 1, D-30167 Hannover (Germany)
Tetrahydroborate enclathrated sodalites with gallosilicate and aluminogermanate host framework were synthesized under mild hydrothermal conditions and characterized by X-ray powder diffraction and IR spectroscopy. Crystal structures were refined in the space group P-43n from X-ray powder data using the Rietveld method. Na{sub 8}[GaSiO{sub 4}]{sub 6}(BH{sub 4}){sub 2}: a=895.90(1)pm, V=0.71909(3)x10{sup -6}nm{sup 3}, R{sub P}=0.074, R{sub B}=0.022, Na{sub 8}[AlGeO{sub 4}]{sub 6}(BH{sub 4}){sub 2}: a=905.89(2)pm, V=0.74340(6)x10{sup -6}nm{sup 3}, R{sub P}=0.082, R{sub B}=0.026. The tetrahedral framework T-atoms are completely ordered in each case and the boron atoms are located at the centre of the sodalite cages. The hydrogen atoms of the enclathrated BH{sub 4}{sup -} anions were refined on x, x, x positions, restraining them to boron-hydrogen distances of 116.8pm as found in NaBD{sub 4}. The IR-absorption spectra of the novel phases show the typical bands of the tetrahedral BH{sub 4}{sup -} group as found in the spectrum of pure sodium boron hydride. The new sodalites are discussed as interesting BH{sub 4}{sup -}-containing model compounds which could release pure hydrogen.
- OSTI ID:
- 20900929
- Journal Information:
- Journal of Solid State Chemistry, Vol. 179, Issue 12; Other Information: DOI: 10.1016/j.jssc.2006.08.031; PII: S0022-4596(06)00472-5; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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