ZEOFILE - A STACK OF ZEOLITE STRUCTURE TYPES

被引:23
作者
NEWSAM, JM [1 ]
TREACY, MMJ [1 ]
机构
[1] EXXON RES & ENGN CO,ANNANDALE,NJ 08801
来源
ZEOLITES | 1993年 / 13卷 / 03期
关键词
ZEOFILE; STRUCTURE DATABASE; POWDER DIFFRACTION SIMULATION;
D O I
10.1016/S0144-2449(05)80275-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An anthology of data on the known zeolite structure types (inspired by the Atlas of Zeolite Structure Types by W.M. Meier and D.H. Olson [Butterworths, Surrey, 19921) has been implemented as a HyperCard stack (called ZeoFile) for the Apple Macintosh computer. ZeoFile currently contains information (such as the character of the pore architecture, topological information, data on the type species, and key references) on more than 85 structure types and incorporates various cross-referencings, including categorization by, for example, materials type, ring size, secondary building unit, and loop configurations. Framework atomic coordinates and symmetry data for a representative example of each structure type and a variety of graphical representations, including some simple animations, are given. The reference and coordinate/symmetry data and the graphical representations can be imported into other applications via ''cut-and-paste'' treatment. An interactive utility for simulating powder X-ray, neutron, and electron diffraction patterns based on these or other crystal structure data is also included.
引用
收藏
页码:183 / 186
页数:4
相关论文
共 13 条
[11]  
SZOSTAK R, 1988, MOL SIEVES PRINCIPLE
[12]  
Wells A. F., 1977, 3 DIMENSIONAL NETS P
[13]  
1991, CATALYSIS 1 0 SOFTWA