AB-INITIO CRYSTAL-STRUCTURE DETERMINATION OF BETA-SODIUM ACETATE FROMPOWDER DATA

Authors
HELMHOLDT RB SONNEVELD EJ SCHENK H
Citation
Rb. Helmholdt et al., AB-INITIO CRYSTAL-STRUCTURE DETERMINATION OF BETA-SODIUM ACETATE FROMPOWDER DATA, Zeitschrift fur Kristallographie, 213(11), 1998, pp. 596-598
Citations number
8
Categorie Soggetti
Crystallography
Journal title
Zeitschrift fur Kristallographie → ACNP
ISSN journal
00442968
Volume
213
Issue
11
Year of publication
1998
Pages
596 - 598
Database
ISI
SICI code
0044-2968(1998)213:11<596:ACDOBA>2.0.ZU;2-B
Abstract
The crystal structure of beta-sodium acetate, NaC2H3O2, has been deter mined from X-ray powder diffraction data. Grid search and Rietveld ref inement have been used to determine the structure. The crystal symmetr y is orthorhombic (space group Pmn2(I), Z = 2) and the unit cell param eters are a = 3.4517(5) Angstrom, b = 9.9123(11) Angstrom and c = 5.18 64(6) Angstrom. Soft constraints have been applied to the molecule. Th e final RF value obtained was 7.5%.