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Ab initio structure determination from powder data using direct methods

โœ Scribed by Spengler, R. ;Zimmermann, H. ;Burzlaff, H. ;Jansen, J. ;Peschar, R. ;Schenk, H.


Book ID
114515039
Publisher
International Union of Crystallography
Year
1994
Tongue
English
Weight
526 KB
Volume
50
Category
Article
ISSN
0108-7681

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Structure of ฮฑ-NaCaAlF6 determined ab in
โœ A. Le Bail; A. Hemon-Ribaud; G. Courbion ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 382 KB

NaCaAIF6 is prepared by solid state reaction as poor quality crystals. The structure is determined ab initio from conventional X-ray powder data. The cell is monoclinic, space group P21/c, Z = 8, with a = 8.7423(3) A, b = 5.1927(2) A, c = 20.3514(9) A and 13 = 91.499(2) ยฐ. The final Rietveld refinem