Distribution and Topology of the Electron Density in an Aluminosilicate Compound from High-Resolution X-ray Diffraction Data: The Case of Scolecite

Acta Crystallographica Section B: Structural Science

Volumn 54, Issue 6, 1998, Pages 819-833

  Kuntzinger, Sandrine ^a   Ghermani, Nour Eddine ^a   Dusausoy, Yves ^a   Lecomte, Claude ^a  

^a Nancy University CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001750529     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108768198003954     Document Type: Article

References (58)

1. Antoniadis, A., Berruyer, J. & Carmona, R. (1992). Regression Non Linéaire et Application, Economica, pp. 1-44. Paris, France.
2. Bader, R. F. W. (1990a). Atoms in molecules: a Quantum Theory, pp. 13-52. Oxford: Oxford Science Publications.
3. Bader, R. F. W. (1990b). Atoms in Molecules: a Quantum Theory, pp. 275-315. Oxford: Oxford Science Publications.
4. Bader, R. F. W. & Essen, H. (1984). J. Chem. Phys. 80, 1943-1960.
5. Bader, R. F. W., MacDougall, P. J. & Lau, C. D. H. (1984) J. Am. Chem. Soc. 106, 1594-1605.
6. Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-147.
7. Benco, L. & Smrcok, L. (1994). Phys. Chem. Miner. 21, 401-406.
8. Blessing, R. H. (1987). Crystallogr. Rev. 1, 3-58.
9. Blessing, R. H. (1989). J. Appl. Cryst. 22, 396-397.
10. Blessing, R. H. (1995). Acta Cryst. A51, 33-38.
11. Clementi, E. & Raimondi, D. L. (1963). J. Chem. Phys. 38, 2686-2689.
12. Clementi, E. & Roetti, C. (1974). Atomic Data and Nuclear Data Tables, Vol. 14, pp. 177-178. New York: Academic Press.
13. Coppens, P. (1997). X-ray Charge Densities and Chemical Bonding. Oxford University Press.
14. Coppens, P., Guru, T. N., Leung, P., Stevens, E. D., Becker, P. & Yang, Y. W. (1979). Acta Cryst. A35, 63-72.
15. Cromer, D. T. (1974). International Tables for X-ray Crystallography, edited by J. A. Ibers & W. E. Hamilton, pp. 148-150. Birmingham: Kynoch Press. (Present distributor Kluwer Academic Publishers, Dordrecht.)
16. Cruickshank, D. W. J. (1949). Acta Cryst. 2, 65-82.
17. De Titta, G. (1985). J. Appl. Cryst. 18, 75-79.
18. Downs, J. W. (1994). Trans. Am. Geophys. Union, p. 187.
19. Downs, J. W. & Swope, R. J. (1992). Phys. Chem. 96, 4834-4840.
20. El Haouzi, A., Hansen, N. K., Le Hénaff, C. & Protas, J. (1996). Acta Cryst. A52, 291-301.
21. Enraf-Nonius (1989). CAD-4 Software. Enraf-Nonius, Delft, The Netherlands.
22. Espinosa, E., Lecomte, C., Ghermani, N. E., Devémy, J., Rohmer, M. M., Bénard, M. & Molins, E. (1996). J. Am. Chem. Soc. 118, 2501-2502.
23. Espinosa, E., Lecomte, C., Molins, E., Veintemillas, S., Cousson, A. & Paulus, W. (1996). Acta Cryst. B52, 519-534.
24. Espinosa, E., Souhassou, M., Lachekar, H. & Lecomte, C. (1998). Chem. Phys. Lett. 285, 170-173.
25. Fäith, L. & Hansen, S. (1979). Acta Cryst. B35, 1877-1880.
26. Fedorov, V. V. (1972). Theory of Optimal Experiments, translated by W. J. Studen & E. M. Klinko. New York: Academic Press.
27. Fischer, R. X., le Lirzin, A., Kassner, D. & Rüdinger, B. (1991). Z. Kristallogr. Suppl. 3, 75.
28. Flack, H. D. (1983). Acta Cryst. A39, 876-881.
29. Francl, M. M., Carey, C. & Chirlian, L. E. (1996). J. Comput. Chem. 17, 367-383.
30. Ghermani, N. E., Bouhmaida, N. & Lecomte, C. (1992). ELECTROS, STATDENS. Computer Programs to Calculate Electrostatic Properties from High-Resolution X-ray Diffraction. Internal report URA CNRS 809, Université Henri Poincaré, France.
31. Ghermani, N. E., Bouhmaida, N. & Lecomte, C. (1993). Acta Cryst. A49, 781-789.
32. Ghermani, N. E., Lecomte, C. & Dusausoy, Y. (1996). Phys. Rev. B, 53, 5231-5239.
33. Gibbs, G. V. Hill, F. C. & Boisen, M. B. Jr (1997). Phys. Chem. Miner. 24, 167-178.
34. Hamilton, W. C. (1964). Statistics in Physical Science. New York: Ronald Press.
35. Hansen, N. K. & Coppens, P. (1978). Acta Cryst. A34, 909-921.
36. Hill, R. J. & Gibbs, G. V. (1979). Acta Cryst. B35, 25-30.
37. Hoaglin, D. C. & Welsh, R. E. (1978). Am. Stat. 32, 17.
38. Joswig, W., Bartl, H. & Fuess, H. (1984). Z. Kristallogr. 166, 219-223.
39. Kuhs, W. F. (1983). Acta Cryst. A39, 148-158.
40. Kvick, Å., Stahl, K. & Smith, J. V. (1985). Z. Kristallogr. 166, 141-154.
41. Lascaux, P. & Theodor, R. (1986). Analyse Numérique Matricielle Appliquée à l'Art de l'Ingénieur, Vol. I. Paris: Masson.
42. Liebau, F. (1985). Structural Chemistry of Silicates. Berlin: Springer Verlag.
43. McCandlish, E., Stout, G. H. & Andrews, L. C. (1975). Acta Cryst. A31, 245-249.
44. Pichon-Pesme, V., Lecomte, C., Wiest, R. & Bénard, M. (1992). J. Am. Chem. Soc. 114, 2713-2715.
45. Prince, E. & Boggs, P. T. (1992). International Tables for Crystallography, edited by A. J. C. Wilson, Vol. C, p. 594. Dordrecht: Kluwer Academic Publishers.
46. Prince, E. & Nicholson, W. L. (1985). Structure and Statistics in Crystallography, edited by A. J. C. Wilson, p. 183. New York: Adenine Press.
47. Rees, B. (1976). Acta Cryst. A32, 483-488.
48. Sasaki, S., Fujino, K., Takénchi, Y. & Sadanaga, R. (1980). Acta Cryst. A36, 904-915.
49. Sheldrick, G. M. (1993). SHELXL93. Program for the Refinement of Crystal Structures. University of Göttingen, Germany.
50. Souhassou, M. (1992). Am. Cryst. Ass. Meet. Pittsburgh, Pennsylvania, August, Abstract F06.
51. Souhassou, M. & Blessing, R. H. (1998). J. Appl. Cryst. In the press.
52. Souhassou, M., Espinosa, E., Lecomte, C. & Blessing, R. H. (1995). Acta Cryst. B51, 661-668.
53. Souhassou, M., Lecomte, C., Ghermani, N. E., Rohmer, M. M., Wiest, R., Bénard, M. & Blessing, R. H. (1992). J. Am. Chem. Soc. 114, 2371-2382.
54. Stewart, R. F. (1991). The Application of Charge Density Research to Chemistry and Drug Design, edited by G. Jeffrey & J. F. Piniella. NATO ASI Series B, Vol. 250, pp. 63-101. New York, London: Plenum Press.
55. Thornley, F. R. & Nelmes, R. J. (1974). Acta Cryst. A30, 748-757.
56. Val, R. J. van der & Vos, A. (1987). Acta Cryst. B43, 132-143.
57. Velleman, P. F. & Welsh, R. E. (1981). Am. Stat. 35, 234-242.
58. Watkin, D. (1994). Acta Cryst. A50, 411-437.