X-ray powder diffraction ab initio structure solution of materials from solid state synthesis: The copper oxide case

Zeitschrift fur Kristallographie - New Crystal Structures

Volumn 213, Issue 5, 1998, Pages 259-265

  Massarotti, V ^a   Capsoni, D ^a   Bini, M ^a   Altomare, A ^a   Molitemi, A G G ^a  

^a CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012031835     PISSN: 14337266     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.1998.213.5.259     Document Type: Article

References (20)

1. Altomare, A.; Burla, M. C.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Molitemi, A. G. G.; Polidori, G.: EXTRA - A program for extracting structure factor amplitudes for powder diffraction data. J. Appl. Crystallogr. 28 (1995 a) 842-846.
2. Altomare, A.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Burla, M. C.; Polidori, G.; Camalli, M.: SIRPOW.92 - A program for automatic solution of crystal structures by direct methods optimized for powder data. J. Appl. Crystallogr. 27 (1994) 435-436.
3. Altomare, A.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Burla, M. C.; Polidori, G.: On the number of statistically independent observations in a powder diffraction pattern. J. Appl. Crystallogr. 28 (1995 b) 738-744.
4. Asbrink, S.; Norrby, L.-J.: A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional E.s.d.'s. Acta Crystallogr. B26 (1970) 8-15.
5. Asbrink, S.; Waskowska, A.: CuO: x-ray single-crystal structure determination at 196 K and room temperature. J. Phys.: Condens. Matt. 3 (1991) 8173-8180.
6. Azzoni, C. B.; Paleari, A.; Parravicini, G. B.: On the Iow-temperature magnetic properties of CuO single crystals. J. Phys.: Condens. Matt. 4 (1992) 1359-1366.
7. 1-x: possible correlations with the CuO-based high temperature superconductors. Z. Naturforsch. 45a (1990) 790-794.
8. Forsyth, J. B.; Hull, S.: The effect of hydrostatic pressure on the ambient temperature structure of CuO. J. Phys.: Condens. Matt. 3 (1991) 5257-5261.
9. Gmelin, E.: Cupric oxide-CuO: its structural, electrical, thermal and magnetic properties. Indian J. Pure Appl. Phys. 30 (1992) 596-608.
10. Hamilton, W. C.: Significance tests on the crystallographic R factor. Acta Crystallogr. 18 (1965) 502-510.
11. Kobler, U.; Chattopadhyay, T.: On the magnetic anisotropy of CuO. Z. Phys. B: Condens. Matt. 82 (1991) 383-386.
12. Langford, J. I.; Louer, D.: High-resolution powder diffraction studies of copper(II) oxide. J. Appl. Crystallogr. 24 (1991) 149-155.
13. 3 from X-ray powder diffraction data. J. Appl. Crystallogr. 30 (1997) 123-127.
14. Massarotti, V.; Bini, M.; Capsoni, D.; Altomare, A.; Molitemi, A. G. G.: X-ray powder structural and microstructural study of nanocrystalline copper oxide. Mat. Sci. Forum, in press.
15. Rietveld, H. M.: A profile refinement method for nuclear and magnetic structures. J. Appl. Crystallogr. 2 (1969) 65-71.
16. Schneider, J.: IUCR Int. Workshop on the Rietveld Method, Petten 1989.
17. N: a criterion for rating powder diffraction patterns and evaluating the reliability of powder pattern indexing. J. Appl. Crystallogr. 12 (1979) 60-65.
18. Werner, P. E.; Eriksson, L.; Westdahl, M.: TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries. J. Appl. Crystallogr. 18 (1985) 367-370.
19. Wiles, D. B.; Young, R. A.: A new computer program for Rietveld analysis of X-ray powder diffraction patterns. J. Appl. Crystallogr. 14 (1981) 149-151.
20. De Wolff, P. M.: A simplified criterion for the reliability of a powder pattern indexing. J. Appl. Crystallogr. 1 (1968) 108-113.