Predictive Modeling and High-Pressure-High-Temperature Synthesis of Perovskites Containing Monovalent Silver

Chemistry of Materials

Volumn 10, Issue 10, 1998, Pages 3092-3100

  Park, J H ^a   Woodward, P M ^b   Parise, J B ^a  

^a STONY BROOK UNIVERSITY   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001138144     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm980212j     Document Type: Article

References (57)

1. Woodward, P. M. Acta Crystallogr. 1997, B53, 44.
2. Glazer, A. M. Acta Crystallogr. 1972, B28, 3384.
3. Burns, G.; Glazer, A. M. Space Groups for Solid State Scientists, 2nd edition; Academic: Boston, 1990; Appendix A9-6.
4. Woodward, P. M. Acta Crystallogr. 1997, B53, 32.
5. Megaw, H. D.; Darlington, C. N. W. Acta Crystallogr. 1975, A31, 161.
6. Thomas, N. W.; Beitollahi, A. Acta Crystallogr. 1994, B50, 549.
7. Cereceda, N.; Noheda, B.; Iglesias, T.; Fernandez-del-Castillo, J. R.; Gonzalo, J. A.; Duan, N.; Wang, Y. L.; Cox, D. E.; Shirane, G. Phys. Rev. 1997, B55, 6174.
8. Okazaki, A.; Y. Suemune, J. Phys. Soc. Jpn. 1961, 16, 176.
9. Reinen, C.; Weitzel, H. Z. Anorg. Allg. Chem. 1976, 424, 31.
10. Anderson, M. T.; Greenwood, K. B.; Taylor, G. A.; Poeppelmeier, K. R. Prog. Solid State Chem. 1993, 22, 197.
11. Setter, N.; Cross, L. E. J. Mater. Sci. 1980, 15, 2478.
12. Woodward, P. M. Ph.D. Thesis, Oregon State University, Ch. 4-6, 1996.
13. Woodward, P. M. J. Appl. Crystallogr. 1997, 30, 206.
14. Park, J.-H.; Parise, J. B. Chem. Mater. 1995, 7, 1055.
15. Wells, A. F. Structural Inorganic Chemistry, 5th ed.; Clarendon: Oxford, 1984.
16. Anderson, M. T.; Poeppelmeier, K. R. Chem. Mater. 1991, 3, 476.
17. Iyer, P. N.; Smith, A. J. Acta Crystallogr. 1967, 23, 740.
18. Abe, M.; Uchino, K. Mater. Res. Bull. 1974, 9, 147.
19. Forquet, J. L.; Duroy, H.; Crosnier-Lopez, M. P. J. Solid State Chem. 1996, 127, 283.
20. Mitchell, R. H.; Chakhmouradian, A. R. J. Solid State Chem., in press.
21. Zhu, W. J.; Hor, P. H. J. Solid State Chem. 1995, 120, 208.
22. Torii, Y. Chem. Lett. 1979, 1979, 1215.
23. Sekiya, T.; Yamamoto, T.; Torii, Y. Bull. Chem. Soc. Jpn. 1984, 57, 1859.
24. King, G.; Goo, E.; Yamamoto, T.; Okazaki, K. J. Am. Ceram. Soc. 1988, 71, 454.
25. Agranovskaya, A. I. Bull. Acad. Sci. USSR Phys. Ser. 1960, 24, 1271.
26. Chenevas, J.; Joubert, J. C.; Marezio, M.; Bochu, B. J. Solid State Chem. 1975, 14, 25.
27. Bochu, B.; Deschizeaux, N. N.; Joubert, J. C.; Collomb, A.; Chenevas, J.; Marezio, M. J. Solid State Chem. 1979, 29, 291.
28. Ozaki, Y.; Ghedira, M.; Chenevas, J.; Joubert, J. C.; Marezio, M. Acta Crystallogr. 1977, 533, 3615.
29. Müller, J.; Haouzi, A.; Laviron, C.; Labeau M.; Joubert, J. C. Mater. Res. Bull. 1986, 21, 1131.
30. Marezio, M.; Dernier, P. D.; Chenevas, J.; Joubert, J. C. J. Solid State Chem. 1973, 6, 16.
31. +). The superscripts denote whether the octahedra in neighboring layers, perpendicular to the rotation axis, are rotated the same direction (+), in opposite directions (-) or not rotated at all (0). If all rotations about a given axis are in the same direction (+), this is often called in phase tilting, whereas out-of-phase tilting refers to the case where the rotation direction alternates from one layer to the next (-). For a more detailed description please see the refs 2, 3, 4, and Glazer, A. M. Acta Crystallogr. 1975, A31, 756.
32. Leinenweber, K.; Parise, J. B. J. Solid State Chem. 1995, 114, 277.
33. Unless otherwise mentioned, eight-coordinate radii will be used for the A-site cations.
34. Shannon, R. D. Acta Crystallogr. 1976, A32, 751.
35. Helmholz, L.; Levine, R. J. Am. Chem. Soc. 1942, 64, 354.
36. Chang, F. M.; Jansen, M. Angew. Chem. 1984, 96, 902.
37. Francombe, M. H.; Lewis, B. Acta Crystallogr. 1958, 11, 175.
38. CRC Handbook of Chemistry and Physics, 77th ed.; Ride, D. R. Ed.; CRC: Boca Raton, FL 1996-1997.
39. Toda, K.; Kurita, S.; Sato, M. Solid State Ionics 1995, 81, 267.
40. Sato, M. M.; Toda, K.; Watanabe, J.; Uematsu, K. Nippon Kagaku Kaishi 1993, 1993, 640.
41. Sato, M.; Watanabe, J.; Uematsu, K. J. Solid State Chem. 1993, 107, 460.
42. Webb, A. W.; Skelton, E. F.; Quadri, S. B.; Carpenter, J. E. R. J. Solid State Chem. 1993, 102, 519.
43. Brown, I. D. Structure and Bonding in Crystals; O'Keeffe, M.; Navrotsky, A., Eds., Academic: New York: 1981; Vol. 2, pp 1-30.
44. O'Keeffe, M. Struct. Bonding (Berlin) 1989, 71, 162.
45. O'Keeffe, M. Eutax, EMLab Software, Phoenix, AZ.
46. Park, J.-H.; Parise, J. B. Mater. Res. Bull. 1997, 32, 1617.
47. Liebermann, R. C.; Wang, Y. High-Pressure Research: Application to Earth and Planery Sciences; Terrapub: Tokyo, 1992.
48. Willgallis, A.; Hantl, H. Z. Kristallogr. 1983, 164, 59.
49. 12 appear to be nearly stoichiometric within experimental accuracy. The explanation for the apparent loss of neodymium and calcium (necessary to achieve a mass balance between starting and final products) is not clear. One possibility is that a small amount of undetected amorphous product is also present.
50. Smith, G. C. Synth. Rad. News 1991, 4, 24.
51. Cox, D. E.; Toby, B. H.; Eddy, M. M. Aust. J. Phys. 1988, 41, 117.
52. Cox, D. E. In Synchrotron Radiation Crystallography; Coppens, P.; Ed.; Academic: London, 1992.
53. Rietveld, H. M. J. Appl. Crystallogr. 1969, 2, 65.
54. Larson, A. C.; von Dreele, R. B. General Structure Analysis System; Los Alamos National Laboratory: Los Alamos, NM, 1994.
55. Woodward, P. M.; Vogt, T.; Cox, D. E.; Arulraj, A.; Rao, C. N. R.; Karen, P.; Cheetham, A. K. Submitted to Chem. Mater.
56. Woodward, P. M.; Hoffmann, R. D.; Sleight, A. W. J. Mater. Res 1994, 9, 2118.
57. Karen, P.; Woodward, P. M. submitted for publication in J. Solid State Chem.