Derivation of conventional crystallographic descriptions of new phases from results of ab initio inorganic structure modelling

Journal of Applied Crystallography

Volumn 29 PART 4, Issue , 1996, Pages 503-508

  Le Page, Y ^a   Klug, D D ^a   Tse, J S ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 2542551342     PISSN: 00218898     EISSN: None     Source Type: Journal    
DOI: 10.1107/s0021889896003792     Document Type: Article

References (29)

1. Baur, W. H., Tillmans, E. & Hofmeister, W. (1983). Acta Cryst. B39, 669-674.
2. Beest, B. W. H. van, Kramer, G. J. & van Santen, R. A. (1990). Phys. Rev. Lett. 64, 1955-1958.
3. Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
4. Car, R. & Parrinello, M. (1985). Phys. Rev. Lett. 55, 2471-2474.
5. Cenzual, K., Gelato, L. M., Penzo, M. & Parthé, E. (1991). Acta Cryst. B47, 433-439.
6. Cohen, R. E. (1992). High Pressure Research: Application to Earth and Planetary Sciences, edited by Y. Syono & M. H. Manghani, p. 425. Tokyo: Terra Scientific; Washington, DC: American Geophysical Union.
7. Darriet, B., Devalette, M. & Latourrette, B. (1978). Acta Cryst. B34, 3528-3532.
8. Focher, P., Chiarotti, G. L., Bemasconi, M., Tosatti, E. & Parrinello, M. (1994). Europhys. Lett. 26, 345-351.
9. Gabe, E. J., Le Page, Y., Charland, J.-P, Lee, F. L. & White, P. S. (1989). J. Appl. Cryst. 22, 384-387.
10. Hemley, R. J., Jephcoat, A. P., Mao, H.-K., Ming, L. C. & Manghnani, M. H. (1988). Nature (London), 334, 52-54.
11. Holtstam, D., Lindqvist, B., Johnsson, M. & Norrestam, R. (1991). Canad. Mineral. 29, 347-354.
12. International Tables for Crystallography (1995). Vol. A. Dordrecht: Kluwer Academic Publishers.
13. Kingma, K. J., Hemley, R. J., Mao, H.-K. & Veblen, D. R. (1993). Phys. Rev. Lett. 70, 3927-3930.
14. Kingma, K. J., Cohen, R. E., Hemley, R. J. & Mao, H.-K. (1995). Nature (London), 374, 243-245.
15. Le Page, Y. (1982). J. Appl. Cryst. 15, 255-259.
16. Le Page, Y. (1987). J. Appl. Cryst. 20, 264-269.
17. Le Page, Y. (1988). J. Appl. Cryst. 21, 983-984.
18. Le Page, Y. & Calvert, L. D. (1984). Acta Cryst. C40, 1787-1789.
19. Marsh, R. E. & Herbstein, F. H. (1983). Acta Cryst. B39, 280-287.
20. Nosé, S. & Klein, M. L. (1983). Mol. Phys. 50, 1055-1076.
21. Pauling, L. (1929). J. Am. Chem. Soc. 51, 1010-1026.
22. Robeson, J. L., Winters, R. R. & Hammack, W. S. (1994). Phys. Rev. Lett. 73, 1644-1647.
23. Scandolo, S. Chiarotti, G. L. & Tosatti, E. (1996). Phys. Rev. B. 53, 5051-5054.
24. Schomaker, V. & Marsh, R. E. (1979). Acta Cryst. B35, 1933-1934.
25. Tse, J. S. & Klug, D. D. (1991). J. Chem. Phys. 95, 9176-9185.
26. Tse, J. S., Klug. D. D. & Allan, D. C. (1995). Phys. Rev. B, 51, 16392-16395.
27. Tse, J. S., Klug, D. D. & Le Page, Y. (1992). Phys. Rev. Lett. 69, 3647-3649.
28. Tsuneyuki, S. Tsukada, M., Aoki, H. & Matsui, Y. (1988). Phys. Rev. Lett. 61, 869-872.
29. Tsuneyuki, S., Matsui, Y., Aoki, H. & Tsukada, M. (1989). Nature (London), 339, 209-211.