Dynamic processes and disorder in crystal structures as seen by temperature-dependent diffraction experiments

Journal of Molecular Structure

Volumn 485-486, Issue , 1999, Pages 457-463

  Burgi H B ^a   Fortsch M ^a  

^a UNIVERSITY OF BERN   (Switzerland)

Author keywords

Anisotropic displacement parameter; Disorder; Dynamic processes; Mean square amplitudes of vibration; Normal mode analysis

Indexed keywords

ANISOTROPY; ARTICLE; ATOMIC PARTICLE; CRYSTAL STRUCTURE; DIFFRACTION; MOLECULAR DYNAMICS; TEMPERATURE DEPENDENCE; VIBRATION; X RAY CRYSTALLOGRAPHY;

EID: 0038210863     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(99)00055-1     Document Type: Article

References (36)

1. P. Debye, Verh. Dtsch. Phys. Ges. 15 (1913) 738.
2. M. Born, Rep. Prog. Phys. 9 (1942) 294.
3. M. von Laue, Röntgenstrahl-Interferenzen, Akademische Verlagsgesellschaft, Frankfurt/Main, 1960.
4. K.N. Trueblood, H.B. Bürgi, H. Burzlaff, J.D. Dunitz, C.M. Gramaccioli, H.H. Schulz, U. Shmueli, S.C. Abrahams, Acta Crystallogr. A52 (1996) 770.
5. D.W.J. Cruickshank, Acta Crystallogr. 9 (1956) 754.
6. D.W.J. Cruickshank, Acta Crystallogr. 9 (1956) 1005.
7. V. Schomaker, K.N. Trueblood, Acta Crystallogr. B24 (1968) 63.
8. C.K. Johnson, in: B.T.M. Willis (Ed.), Thermal Neutron Diffraction, Oxford University Press, London, 1970, pp. 132.
9. J.D. Dunitz, D.N.J. White, Acta Crystallogr. A29 (1973) 93.
10. K.N. Trueblood, Acta Crystallogr. A34 (1978) 950.
11. K.N. Trueblood, J.D. Dunitz, Acta Crystallogr. B39 (1983) 120.
12. X.M. He, B.M. Craven, Acta Crystallogr. A49 (1993) 10.
13. R. Diamond, Acta Crystallogr. A46 (1990) 425.
14. A. Kidera, N. Go, J. Mol. Biol. 225 (1992) 457.
15. J.D. Dunitz, V. Schomaker, K.N. Trueblood, J. Phys. Chem. 92 (1988) 856.
16. T.R. Welbery, B.D. Butler, Chem. Rev. 95 (1995) 2369.
17. F. Frey, Z. Krist. 212 (1997) 257.
18. M. Förtsch, PhD Thesis, Universität Bern, 1997.
19. B.T.M. Willis, A.W. Pryor, Thermal Vibrations in Crystallography, Cambridge University Press, Cambridge, 1975.
20. P. Coppens, X-ray Charge Densities and Chemical Bonding Chapter 2, Oxford University Press, Oxford, 1997.
21. S.J. Cyvin, Molecular Vibrations and Mean Square Amplitudes, Universitets Forlaget, Oslo, 1968.
22. E.B. Wilson Jr., J.C. Decius, P.C. Cross, Molecular Vibrations, McGraw Hill, New York, 1955.
23. K. Chandrasekhar, H.B. Bürgi, Acta Crystallogr. B40 (1984) 387, see the discussion section.
24. G. Dalba, P. Fornasini, J. Synchrotron Rad. 4 (1997) 243.
25. C. Stassis, in: R. Celotta, J. Levine (Eds.), Methods of Experimental Physics, Vol. 23A (K. Sköld, D.L. Price (Vol. Eds.), Neutron Scattering), Chapter 6, Academic Press, 1986.
26. G.S. Pawley, in: R. Celotta, J. Levine (Eds.), Methods of Experimental Physics, Vol. 23A (K. Sköld, D.L. Price (Vol. Eds.), Neutron Scattering), Chapter 7, Academic Press, 1986.
27. G.A. Jeffrey, J.R. Ruble, R.K. McMullan, J.A. Pople, Proc. Roy. Soc. London A414 (1987) 47.
28. G. Filippini, C.M. Gramaccioli, Acta Crystallogr. A45 (1989) 261.
29. L. Goodman, A.G. Ozkabak, S.N. Thakur, J. Phys. Chem. 95 (1991) 9044.
30. H.B. Bürgi, Acta Crystallogr. B51 (1995) 571.
31. S.C. Capelli, H.B. Bürgi, ECM-17 Lisbon, Portugal, Meeting Abstract MS2.7-3, 1997.
32. H. Frauenfelder, G.A. Petsko, D. Tsernoglou, Nature 280 (1979) 558.
33. H.B. Bürgi, Acta Crystallogr. B45 (1989) 383.
34. M. Kunz, Th. Armbruster, Am. Miner. 75 (1990) 141.
35. M.N. Burnett, C.K. Johnson, ORTEP-III, Oak Ridge Thermal Ellipsoid Plotting Program for Crystal Structure Illustrations, ORNL-6895, Oak Ridge National Laboratory, 1996.
36. W. Hummel, J. Hauser, H.B. Bürgi, J. Mol. Graphics 8 (1990) 214.