Identification of and symmetry computation for crystal nets
作者： Olaf Delgado-Friedrichs , Michael O'Keeffe
DOI: 10.1107/S0108767303012017
关键词:
摘要: Exact methods are presented to determine whether two periodic nets combinatorially isomorphic and compute the full combinatorial symmetry group of a net. It is found that for large class nets, which includes all known zeolite most other crystal this can be realized as crystallographic space group.
sci-hub.se 参考文章(29)
M. Bader, W. E. Klee, G. Thimm, The 3-regular nets with four and six vertices per unit cell Zeitschrift Fur Kristallographie. ,vol. 212, pp. 553- 558 ,(1997) , 10.1524/ZKRI.1997.212.8.553
Olaf Delgado Friedrichs, Andreas W. M. Dress, Daniel H. Huson, Jacek Klinowski, Alan L. Mackay, Systematic enumeration of crystalline networks Nature. ,vol. 400, pp. 644- 647 ,(1999) , 10.1038/23210
A. Hannemann, R. Hundt, J. C. Schön, M. Jansen, A New Algorithm for Space-Group Determination Journal of Applied Crystallography. ,vol. 31, pp. 922- 928 ,(1998) , 10.1107/S0021889898008735
Joseph V. Smith, Topochemistry of zeolites and related materials. 1. Topology and geometry Chemical Reviews. ,vol. 88, pp. 149- 182 ,(1988) , 10.1021/CR00083A008
Kim J Yaghi, OM, O'Keeffe, M, Ockwig NW, Chae, HK, Eddaoudi M, Reticular synthesis and the design of new materials Nature. ,vol. 423, pp. 705- 714 ,(2003) , 10.1038/NATURE01650
S. Han, J. V. Smith, Four-connected three-dimensional nets generated from the 1,3-stellated cube : topological analysis and distance-least-squares refinement Acta Crystallographica Section A. ,vol. 50, pp. 302- 307 ,(1994) , 10.1107/S0108767393009766
G.O. Brunner, The properties of coordination sequences and conclusions regarding the lowest possible density of zeolites Journal of Solid State Chemistry. ,vol. 29, pp. 41- 45 ,(1979) , 10.1016/0022-4596(79)90207-X
Werner Fischer, Existenzbedingungen homogener Kugelpackungen zu kubischen Gitterkomplexen mit weniger als drei Freiheitsgraden Zeitschrift Fur Kristallographie. ,vol. 138, pp. 129- 146 ,(1973) , 10.1524/ZKRI.1973.138.138.129
R. M. Barrer, H. Villiger, The crystal structure of the synthetic zeolite L Zeitschrift Fur Kristallographie. ,vol. 128, pp. 352- 370 ,(1969) , 10.1524/ZKRI.1969.128.3-6.352
Werner Fischer, Existenzbedingungen homogener Kugelpackungen zu kubischen Gitterkomplexen mit drei Freiheitsgraden Zeitschrift Fur Kristallographie. ,vol. 140, pp. 50- 74 ,(1974) , 10.1524/ZKRI.1974.140.1-2.50