VPI-5: Structure refinement with single crystal synchrotron radiation diffraction data

被引：22

作者：

Cheetham, G ^{[1
]}

Harding, MM ^{[1
]}

机构：

[1] UNIV LIVERPOOL,DEPT CHEM,LIVERPOOL L69 3BX,MERSEYSIDE,ENGLAND

来源：

ZEOLITES | 1996年 / 16卷 / 04期

关键词：

aluminophosphate; single crystal; synchrotron radiation; diffraction; VPI-5;

D O I：

10.1016/0144-2449(95)00143-3

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：

Single crystal diffraction data have been recorded with synchrotron radiation for a very small crystal (70 x 10 x 10 mu m) of the aluminophosphate VPI-5 ([AI(18)P(18)O(72)] . 4(2)H(2)O) and used for structure refinement. All of the framework atom positions in the model of McCusker, Baerlocher, Jahn and Bulow (Zeolites 1991, 11, 308-313) in space group P6(3) are fully confirmed and determined with slightly better e.s.d.s. Some additional detail on the network of water molecule positions is provided. The single crystal and powder methods are compared briefly.

引用

页码：245 / 248

页数：4

共 5 条

[1] THE TRIPLE HELIX INSIDE THE LARGE-PORE ALUMINOPHOSPHATE MOLECULAR-SIEVE VPI-5 [J].

MCCUSKER, LB ;

BAERLOCHER, C ;

JAHN, E ;

BULOW, M .

ZEOLITES, 1991, 11 (04) :308-313

[2] CRYSTAL ORIENTATION AND X-RAY PATTERN PREDICTION ROUTINES FOR AREA-DETECTOR DIFFRACTOMETER SYSTEMS IN MACROMOLECULAR CRYSTALLOGRAPHY [J].

MESSERSCHMIDT, A ;

PFLUGRATH, JW .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1987, 20 (04) :306-315

[3]

MOTHERWELL WDS, 1978, PLUTO PROGRAM PLOTTI

[4]

PAPIZ MS, 1989, COMMUNICATION

[5]

Sheldrick GM., 1993, SHELXL 93 PROGRAM CR, DOI DOI 10.1107/S2053229614026540

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