Structural-Electronic Relationships in Inorganic Solids: Powder Neutron Diffraction Studies of the Rutile and Anatase Polymorphs of Titanium Dioxide at 15 and 295 K

Journal of the American Chemical Society

Volumn 109, Issue 12, 1987, Pages 3639-3646

  Burdett, Jeremy K ^a   Hughbanks, Timothy ^a   Miller, Gordon J ^a   Smith, Joseph V ^b   Richardson, James W ^b  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845281352     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00246a021     Document Type: Article

References (30)

1. O’Keeffe, M. Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 1977, A33, 924.
2. Cromer. D. T.; Herrington. K. J. Am. Chem. Soc. 1955. 77, 4708.
3. Nodod, G. Hamb. Beitr. Angew. Mineral. Kristallphys. Petrog. 1956, II 239.
4. Straumanis, M. E.; Ejima, T.; James, W. J. Acta Crystallogr. 1961, 14. 493.
5. Shintani, H.; Sato, S.; Saito, Y. Acta Crystallogr., Sect. B: Struct. Crystallogr. Crvst. Chem. 1975. B31, 1981.
6. Abrahams, S. C.; Bernstein, J. L. J. Chem. Phys. 1971, 55, 3206.
7. Meagher, E. P.; Lager, G. A. Can. Mineral. 1979, 17, 77.
8. Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P. Z. Krist. 1972, 136, 273.
9. Gonschorek, W.; Field, R. Z. Krist. 1982, 161, 1.
10. Sabine, T. M.; Howard, C. J. Acta Crystallogr., B: Struct. Crystallogr. Cryst. Chem. 1982, B38, 701.
11. Burdett, J. K. Inorg. Chem. 1985, 24, 2244.
12. Baur, W. H. Acta Crystallogr. 1956, 9, 515; 1961, 14, 214.
13. Baur, W. H.; Khan, A. A. Acta Crystallogr., Sect. B: Structu. Crystallogr. Cryst. Chem. 1971, B27, 2133.
14. Smith, J. V.; Pluth, J. J.; Faber, J. J. Appl. Phys. 1985, 57, 1045.
15. Smyth, J. R.; Smith, J. V.; Artioli, G.; Kvick, A. J. Phys. Chem. 1987, 91, 988.
16. Rietveld, H. M. J. Appl. Crystallogr. 1969, 2, 65.
17. Jorgensen, J. D.; Rotella, F. J. J. Appl. Crystallogr. 1982, 15, 27.
18. Von Dreele, R. B.; Jorgensen, J. D.; Windsor, C. G. J. Appl. Cryst. 1982, 15, 587.
19. Rao, K. V. K.; Naidu, S. V. N.; Iyengar, L. J. Am. Ceram. Soc. 1970, 53, 124.
20. Kvick, A.; Stah, K.; Smith, J. V. Z. Kristallogr. 1985, 171, 141.
21. Smith, J. V.; Artioli, G.; Kvick, A. Am. Mineral. 1986, 71, 727.
22. Albright, T. A.; Burdett, J. K.; Whangbo, M. M. Orbital Interactions in Chemistry: Wiley: New York. 1985.
23. Burdett, J. K.; Hughbanks, T. J. Am. Chem. Soc. 1984, 106, 3101.
24. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397.
25. For connections between the energy levels of molecules and solids see, for example: Burdett, J. K. Prog. Solid State Chem. 1984, 15, 173.
26. Burdett, J. K.; Albright, T. A. Inorg. Chem. 1979, 18, 2112.
27. Post, J. E.; Burnham, C. W. Am. Mineral. 1986, 71, 142.
28. Catlow, R. A.; James, R.; Mackrodt, W. C.; Steward, R. F. Phys. Rev. B: Condens. Matter 1982, 25, 1006.
29. Pauling, L. Z. Kristallogr. 1928., 67, 377.
30. The simplistic nature of the treatment in ref 31 is pointed out in: Mostoller, M.; Wang, J. C. Phys. Rev. B.: Condens. Matter 1985, 32, 6773.