Solving structural problems of ceramic materials

Croatica Chemica Acta

Volumn 77, Issue 3, 2004, Pages 435-446

  Golobič, Amalija ^a   Škapin, Srečo D ^b   Suvorov, Danilo ^b   Meden, Anton ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

^b JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

ab initio structure solution; Ceramics; Defect perovskite; Structure determination from powder diffraction; Ternary system La2O3 Nb 2O5 TiO2

Indexed keywords

CERAMICS; CHEMICAL STRUCTURE; CONFERENCE PAPER; CRYSTAL STRUCTURE; ELECTRON BEAM; MOLECULAR INTERACTION; MOLECULAR MECHANICS; NEUTRON DIFFRACTION; STRUCTURE ANALYSIS; SYNCHROTRON RADIATION; X RAY POWDER DIFFRACTION;

EID: 8744261667     PISSN: 00111643     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (104)

1. A. R. West, Solid State Chemistry and Its Applications, John Wiley & Sons, Chichester, 1989, pp. 36-40.
2. W. I. F. David, K. Shankland, L. B. McCusker, and Ch. Bearlocher, Structure Determination from Powder Diffraction Data, Oxford University Press, Oxford, 2002, pp. 1-11.
3. H. M. Rietveld, J. Appl. Crystallogr. 2 (1969) 65-71.
4. Powder Diffraction Database - PDF, International Centre for Diffraction Data - ICDD, 12 Campus Boulevard, Newtown Square, PA 19073-3273 USA.
5. Inorganic Crystal Structure Database - ICSD, FIZ Karlsruhe, PO Box 2465 D-76012 Karlsruhe, Germany.
6. V. Favre-Nicolin and R. Černý, J. Appl. Crystallogr. 35 (2002) 734-743.
7. A. Meden, Croat. Chem. Acta 71 (1998) 615-633.
8. G. S. Pawley, J. Appl. Crystallogr. 14 (1981) 356-361.
9. A. LeBail, H. Durray, and J. L. Fourquet, Mat. Res. Bull. 23 (1988) 447-452.
10. A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, M. C. Burla, and G. Polidori, J. Appl. Crystallogr. 28 (1995) 738-744.
11. P. Main, L. Lessinger, M. M. Woolfson, G. Germain, and J. P. Declercq, A System of Computer Programs for the Automatic Solution of Crystal Structures from X-ray Diffraction Data, University of York, England, and Louvain, Belgium, 1977.
12. G. M. Sheldrick, SHELXS97, University of Götingen, Germany, 1997.
13. A. Altomare, M. C. Burla, M. Camalli, B. Carrozzini, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori, and R. Rizzi, J. Appl. Crystallogr. 32 (1999) 339-340.
14. W. I. F. David, K. Shankland, L. B. McCusker, and Ch. Bearlocher, Structure Determination from Powder Diffraction Data, Oxford University Press, Oxford, 2002, pp. 309-314.
15. K. D. M. Harris, M. Tremyane, P. Lightfoot, and P. G. Bruce, J. Am. Chem. Soc. 116 (1994) 3543-3547.
16. Y. G. Andreev, G. S. MacGlashan, and P. G. Bruce, Phys. Rev. B, Condens. Matter 55 (1997) 12011-12017.
17. J. M. Newsam, M. W. Deem, and C. M. Freeman, Accuracy in Powder Diffraction II, NIST Special Publ. No. 846, 1992, pp. 80-91.
18. M. Falcioni and M. W. Deem, J. Chem. Phys. 110 (1999) 1754-1766.
19. B. M. Kariuki, H. Serrano-Gonzales, R. L. Johnston, and K. D. M. Harris, Chem. Phys. Lett. 280 (1997) 189-195.
20. K. Shankland, W. I. F. David, and T. Csoka, Z. Kristallogr. 212 (1997) 550-552.
21. Topas 2.1: General Profile and Structure Analysis Software for Powder Diffraction Data, Bruker AXS, Karlsruhe, Germany, 2003.
22. V. Paul-Boncour, Y. M. Filipek, A. Percheron-Guégan, I. Marchuk, and J. Peilassek, J. Alloys Compel. 58 (2001) 317-318.
23. L. Guénée, V. Favre-Nicolin, and K. Yvon, J. Alloys Compd. 348 (2003) 129-137.
24. G. Renaudin, L. Guénée, and K. Yvon, J. Alloys Compd. 350 (2003) 145-150.
25. R. Černý, I. Yu. Zavaliy, and I. V. Koval'chuk, J. Alloys Compd. Submitted.
26. I. R. Evans, J. A. K. Howard, R. L. Withers, and J. S. O. Evans, Chem. Commun. (2001) 1984-1985.
27. Y. Laligant, A. Le Bail, and F. Goutnoire, J. Solid State Chem. 159 (2001) 223-227.
28. R. A. Dilanian, A. Yamamoto, F. Izumi and T. Kamiyama, Mol Crys. Liq. Cryst. 341 (2000) 1029-1034.
29. L. Carrillo, M. E. Villafuerte-Castrejon, G. Gonzalez, L. E. Sansores, L. Bucio, J. Duque, and R. Pomes, J. Mater. Sci. 35 (2000) 3047-3052.
30. C. Bridges, J. E. Greedan, and J. Barbier, Acta Crystallogr., Sect. B 56 (2000) 183-188.
31. C. Grenthe, A. Guagliardi, M. Sundberg, and P. Werner, Acta Crystallogr., Sect. B 57 (2001) 13-19.
32. M. Gemmi, L. Righi, G. Calestani, A. Migliori, A. Speghini, M. Santarosa, and M. Bettinelli, Ultramicroscopy 84 (2000) 133-142.
33. A. R. West, Solid State Chemistry and its Applications, John Wiley & Sons, Chichester, 1989, p. 553.
34. T. E. Weirich, R. Ramlau, A. Simon, S. Hovmoller, and X. D. Zou, Nature 382 (1996) 144-146.
35. J. Gjonnes, V. Hansen, B. S. Berg, P. Runde, Y. F. Cheng, K. Gjonnes, D. L. Dorset, and C. J. Gilmore, Acta Crystallogr., Sect. B 54 (1998) 306-319.
36. S. Marzullo and E. N. Bunting, J. Am. Ceram. Soc. 41 (1958) 40-41.
37. J. B. MacChesney and H. A. Sauer, J. Am. Ceram. Soc. 45 (1962) 416-422.
38. P. A. Fuierer and R. E. Newnham, J. Am. Ceram. Soc. 74 (1991) 2876-2881.
39. S. D. Škapin, D. Kolar, and D. Suvorov, J. Eur. Ceram. Soc. 20 (2000) 1179-1185.
40. M. Yokoyama, T. Ota, I. Yamai, and J. Takahashi, J. Cryst. Growth 96 (1989) 490-496.
41. S. D. Škapin, D. Kolar, and D. Suvorov, J. Am. Ceram. Soc. 76 (1993) 2359-2362.
42. R. Ali, M. Yashima, M. Yoshimura, and H. Yoshioka, J. Am. Ceram. Soc. 84 (2001) 468-470.
43. D. Kolar, S. D. Škapin, D. Suvorov, and M. Valant, Proceedings of the Ninth International Conference on High Temperature Materials Chemistry, (Penn State, University Park, PA, May 19-23, 1997), Vol. IX, The Electrochemical Society, Pennington, 1997, pp. 109-115.
44. D. Suvorov, M. Valant, S. D. Škapin, and D. Kolar, J. Mater. Sci. 33 (1998) 85-89.
45. P. N. Iyer and A. J. Smith, Acta Crystallogr. 23 (1967) 740-746.
46. (a) D. Fauquier and M. Gasperin, Bull. Soc Fr. Mineral. Cristal. 93 (1970) 258.
47. (b) ICSD collection code: 23509, PDF card number: 73-1059.
48. R. Ali, M. Yashima, M. Tanaka, H. Yoshioka, T. Mori, and S. Sasaki, J. Solid State Chem. 164 (2002) 51-59.
49. H. Yoshioka, J. Am. Ceram. Soc. 85 (2002) 1339-1341.
50. M. Yashima, M. Mori, T. Kamiyama, K. Oikawa, A. Hoshikawa, S. Torii, K. Saitoh, and K. Tsuda, Chem. Phys. Lett. 375 (2003) 240-246.
51. (a) A. Sych and V. Klenus, Inorg. Mater. 9 (1973) 1081.
52. (b) PDF card number: 31-0672.
53. (a) Frank-Kamenetsky, University of Leningrad, Russia, personal communication (1968).
54. (b) PDF card number: 20-1367.
55. Natl. Bur. Stand. (U.S.) Monogr. 25,3,37 (1964); PDF card number: 15-0872.
56. O. Loye, P. Laruelle, and A. Harari, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques 266 (1968) 454-456.
57. A. F. Wells, Structural Inorganic Chemistry, 5th ed., Oxford University Press, Oxford, 1986, pp. 182-183.
58. (a) V. K. Trunov, I. M. Averina, A. A. Evdokimov, and A. M. Frolov, Kristallografiya, 26 (1981) 189-191.
59. (b) Vestnik Moskovskogo Universiteta, Khimiya (1968) 55.
60. R. W. Cheary and A. A. Coelho, J. Appl. Crystallogr. 25 (1992) 109-121.
61. R. W. Cheary and A. A. Coelho, J. Appl. Crystallogr. 31 (1998) 851-861.
62. R. W. Cheary and A. A. Coelho, J. Appl. Crystallogr. 31 (1998) 862-868.
63. A. A. Coelho and R. W. Cheary, Comput. Phys. Commun. 104 (1997) 15-22.
64. A. F. Wells, Structural Inorganic Chemistry, 5th ed., Oxford University Press, Oxford, 1986, pp. 635-636.
65. D. Shannon, Acta Crystallogr. Sect. A 32 (1976) 751-767.
66. The lists are made with the help of web page by Le Bail, http://www.cristal.org/iniref.html
67. M. S. Lehmann, A. Norlund Christensen, H. Fjellvag, R. Feidenhans'l, and M. Nielsen, J. Appl. Crystallogr. 20 (1987) 123-129.
68. S. J. Hibble, A. K. Cheetham, A. R. L. Bogle, H. R. Wakerley, and D. E. Cox, J. Am. Chem. Soc. 110 (1988) 3295-3296.
69. A. Le Bail, H. Duroy, and J. L. Fourquet, Mat. Res. Bull. 23 (1988) 447-452.
70. Y. Laligant, A. Le Bail, and G. Ferey, J. Solid State Chem. 81 (1989) 58-64.
71. A. Le Bail and M.-A. Lafontaine, Eur. J. Solid State Inorg. Chem. 27 (1990) 671-680.
72. P. Norby, A. Norlund Christensen, H. Fjellvag, and M. Nielsen, J. Solid State Chem. 94 (1991) 281-293.
73. P. Lightfoot, J. A. Hriljac, S. Pei, Y. Zheng, A. W. Mitchell, D. R. Richards, B. Dabrowski, J. D. Jorgensen, and D. G. Hinks, J. Solid State Chem. 92 (1991) 473-479.
74. Y. Laligant, Eur. J. Solid State Inorg. Chem. 29 (1992) 239-247.
75. Y. Laligant and A. Le Bail, Eur. J. Solid State Inorg. Chem. 30 (1993) 689-698.
76. R. E. Morris, J. J. Owen, J. K. Stalick, and A. K. Cheetham, J. Solid State Chem. 111 (1994) 52-57.
77. P. Lightfoot, J. B. Thomson, F. J. Little, and P. G. Bruce, J. Mater. Chem. 4 (1994) 167-169.
78. J.-C. Champarnaud-Mesjard, B. Frit, A. Aftati, and M. El Farissi, Eur. J. Solid State Inorg. Chem. 31 (1994) 473-486.
79. R. J. Balsys and R. L. Davis, Solid State Ionics 69 (1994) 69-74.
80. A. Le Bail, L. Permer and Y. Laligant, Eur. J. Solid State Inorg. Chem. 32 (1995) 883-892.
81. Y. Laligant, L. Permer, and A. Le Bail, Eur. J. Solid State Inorg. Chem 32 (1995) 325-334.
82. W. T. A. Harrison, S. L. Hegwood, and A. J. Jacobson, J. Chem. Soc. Chem. Commun. 19 (1995) 1953-1954.
83. J.-C. Champarnaud-Mesjard, B. Frit, A. Aftati, and M. El Farissi, Eur. J. Solid State Inorg. Chem. 32 (1995) 493-504.
84. N. Tancret, S. Obbade, N. Bettahar, and F. Abraham, J. Solid State Chem. 124 (1996) 309-318.
85. P. M. Woodward, A. W. Sleight, and T. Vogt, J. Solid State Chem. 131 (1997) 9-17.
86. L. Permer and Y. Laligant, Eur. J. Solid State Inorg. Chem. 34 (1997) 41-52.
87. I. Radosavljevic, J. S. O. Evans, and A. W. Sleight, J. Solid State Chem. 137 (1998) 143-147.
88. K. Knorr, P. Jakubus, G. Dabrowska, and M. Kursawa, Eur. J. Solid State Inorg. Chem. 35 (1998) 519-530.
89. P. Pertierra, M. A. Salvado, S. Garcia-Granda, C. Trabajo, J. R. Garcia, A. I. Bortun, and A. Clearfield, J. Solid State Chem. 148 (1999) 41-49.
90. S. Kubota, H. Yamane, and M. Shimada, Acta Crystallogr., Sect. C 55 (1999) 14-17.
91. F. Dubois, F. Goutenoire, Y. Laligant, E. Suard, and P. Lacorre, J. Solid State Chem. 159 (2001) 228-233.
92. M. I. Gomez, G. Lucotti, J. A. de Moran, P. J. Aymonino, S. Pagola, P. Stephens, and R. E. Carbonic, J. Solid State Chem. 160 (2001) 17-24.
93. A. M. Krogh Andersen and S. Stefan Carlson, Acta Crystallogr., Sect. B 57 (2001) 20-26.
94. R. E. Dinnebier, R. M. Ibberson, H. Ehrenberg, and M. Jansen, J. Solid State Chem. 163 (2002) 332-339.
95. J. Grins and P. E. Werner, Acta. Chem. Scand. 43 (1989) 11-14.
96. A. Jouanneaux, O. Joubert, A. N. Fitch, and M. Ganne, Mat. Res. Bull. 26 (1991) 973-982.
97. J. A. Hriljac, J. B. Parise, G. H. Kwei, and K. B. Schwartz, J. Phys. Chem. Solids 52 (1991) 1273-1279.
98. A. Jouanneaux, O. Joubert, M. Evain, and M. Ganne, Powder Diffraction 7 (1992) 206-211.
99. W. G. Mumme, J. Solid State Chem. 105 (1993) 528-534.
100. M. Zocchi, I. Natali Sora, L. E. Depero, and R. S. Roth, J. Solid State Chem. 104 (1993) 391-396.
101. F. Goutenoire, V. Caignaert, M. Hervieu, C. Michel, and B. Raveau, J. Solid State Chem. 114 (1995) 428-434.
102. F. Goutenoire, V. Caignaert, M. Hervieu, C. Michel, and B. Raveau, J. Solid State Chem. 115 (1995) 508-513.
103. F. Goutenoire, V. Caignaert, M. Hervieu, and B. Raveau, J. Solid State Chem. 119 (1995) 134-141.
104. E. Grey, L. M. D. Cranswick, C. Li, L. A. Bursill, and J. L. Peng, J. Solid State Chem. 138 (1998) 74-86.