Pitfalls in the X-ray structure determination of pseudosymmetric sodalites, and possibly zeolites
作者： X. Hu , W. Depmeier
DOI: 10.1524/ZKRI.1992.201.1-2.99
关键词:
摘要: Computer simulations have shown that the difference Fourier technique can lead to erraneous results, such as feign orientational disorder and spurious atoms, in case of pseudosymmetric tetrahedral framework structures. Preliminary investigations exhibited a strong dependence heights atoms upon particularities models data sets. The importance correct symmetry assignment for understanding structures sodalites, clathrasils zeolites is emphasized
sci-hub.se 参考文章(8)
W. Depmeier, W. Bührer, Aluminate sodalites: Sr8[Al12O24](MoO4)2 (SAM) at 293, 423, 523, 623 and 723 K and Sr8[Al12O24](WO4)2 (SAW) at 293 K Acta Crystallographica Section B-structural Science. ,vol. 47, pp. 197- 206 ,(1991) , 10.1107/S0108768190011326
Karl Seff, Mark D. Mellum, The silicon/aluminum ratio and ordering in zeolite A The Journal of Physical Chemistry. ,vol. 88, pp. 3560- 3563 ,(1984) , 10.1021/J150660A036
P. G. Jones, Crystal structure determination: a critical view Chemical Society Reviews. ,vol. 13, pp. 157- 172 ,(1984) , 10.1039/CS9841300157
W. Depmeier, Aluminate sodalites — A family with strained structures and ferroic phase transitions pacific rim conference on multimedia. ,vol. 15, pp. 419- 426 ,(1988) , 10.1007/BF00311120
H. H. Grelland, Relativistic corrections to the kinematic X‐ray scattering in the Pauli approximation Acta Crystallographica Section A. ,vol. 41, pp. 301- 303 ,(1985) , 10.1107/S0108767385000642
R. E. Marsh, The importance of weak reflections in resolving the centrosymmetric-noncentrosymmetric ambiguity: a cautionary tale Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 37, pp. 1985- 1988 ,(1981) , 10.1107/S0567740881007826
W. Appel, J. Ihringer, K. Knorr, W. Prandl, Low pressure and temperature dependent phase transitions of a potassium exchanged zeolite A Zeolites. ,vol. 7, pp. 423- 426 ,(1987) , 10.1016/0144-2449(87)90008-X
W. Depmeier, Structural studies on aluminate sodalites Acta Crystallographica Section A. ,vol. 43, ,(1987) , 10.1107/S0108767387081492