Application of X-ray Powder Diffraction Techniques to the Solution of Unknown Crystal Structures

Accounts of Chemical Research

Volumn 30, Issue 10, 1997, Pages 414-422

  Poojary, Damodara M ^a,b,c,d,e,f   Clearfield, Abraham ^a,b,g,h,i,j  

^a TEXAS A AND M UNIVERSITY   (United States)

^b Mysore University ^*

^c UNIVERSITY OF MYSORE   (India)

^d INDIAN INSTITUTE OF SCIENCE   (India)

^e BRANDEIS UNIVERSITY   (United States)

^f SYMYX TECHNOLOGIES   (United States)

^g TEMPLE UNIVERSITY   (United States)

^h RUTGERS UNIVERSITY   (United States)

ⁱ OHIO UNIVERSITY   (United States)

^j NATIONAL SCIENCE FOUNDATION   (United States)

more..

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000913135     PISSN: 00014842     EISSN: None     Source Type: Journal    
DOI: 10.1021/ar960143j     Document Type: Article

References (112)

1. Rietveld, H. J. Appl. Crystallogr. 1969, 2, 65.
2. Berg, J. E.; Werner, P.-E. Z. Kristallogr. 1977, 145, 310.
3. Westman, S.; Werner, P.-E.; Schuler, T.; Raldow, W. Acta Chem. Scand., Ser. A 1981, 35, 46
4. Adelskold, V.; Werner, P.-E.; Sundberg, M.; Uggla, R. Acta Chem. Scand., Ser. A 1981, 35, 789.
5. (a) Clearfield, A.; McCusker, L. B.; Rudolf, P. R. Inorg. Chem. 1984, 23, 4679.
6. (b) Rudolf, P. R.; Clearfield, A. Acta Crystallogr., Sect. B 1985, 41, 418.
7. (c) Rudolf, P. R.; Clearfield, A. Inorg. Chem. 1985, 24, 3714.
8. (a) Norlang, B. I.; Tergenius, L.-E. Acta Chem. Scand., Ser. A. 1980, 34, 311.
9. (b) Christensen, A. N.; Lehman, M. S.; Nielsen, M. Aust. J. Phys. 1985, 38, 497.
10. Rudolf, P. R.; Saldarriaga-Molina, C.; Clearfield, A. J. Phys. Chem. 1986, 90, 6122.
11. Pawley, G. S. J. Appl. Crystallogr. 1981, 14, 357.
12. Toyara, H. J. Appl. Crystallogr. 1986, 19, 440
13. Baerlocher, C. The X-ray Rietveld System; Institute Fur Kristallographie und Petrographie: Zurich, Switzerland, 1982.
14. Jensen, E.; Peschar, R.; Schenk, H. J. Appl. Crystallogr. 1992, 25, 131.
15. Le Bail, A.; Duroy, H.; Fourquet, J. L. Mater. Res. Bull. 1988, 23, 447.
16. Altomare, A.; Burla, G.; Cascarano, C.; Giacovazzo, A. Guagliardi, A. G. Moltiterni G. G.; Polidori, G. J. Appl. Crystallogr. 1995, 28, 842.
17. Louer, D. Rep. Prog. Phys. 1996, 59, 131
18. Cox, D.; Toby, B. H.; Eddy, M. M. Austr. J. Phys. 1988, 41, 117.
19. (b) Cox, D. Hasting, J. B. Cardoso, L. P.; Finger, L. W. Mater. Sci. Forum 1986, 9, 1.
20. (a) David, W. I. F. Nature 1986, 346, 731.
21. (b) Bricogne, C.; Gilmore, C. J. Acta Crystallogr. 1990, A46, 248.
22. Cheetham, A. K.; David, W. I. F.; Eddy, M. M.; Jakeman, R. J. B.; Johnson, M. W.; Torardi, C. C. Nature 1986, 320, 46.
23. (18) Attfield, J. P.; Sleight, A. W.; Cheetham, A. K. Nature 1986, 322, 630. McCusker, J. Appl. Crystallogr. 1988, 21, 305.
24. Attfield, J. P.; Sleight, A. W.; Cheetham, A. K. Nature 1986, 322, 630. McCusker, J. Appl. Crystallogr. 1988, 21, 305.
25. Morris, R. E.; Owen, J. J.; Stalick, J. K.; Cheetham, A. K. J. Solid State Chem. 1994, 111, 52.
26. (a) Poojary, D. M.; Cabeza, A.; Aranda, M. A. G.; Bruque, S.; Clearfield, A. Inorg. Chem. 1996, 35, 1468.
27. (b) Poojary, D. M.; Grohol, D.; Clearfield, A. Angew. Chem., Int. Ed. Engl. 1995, 34, 1508.
28. Davis, B. L. Powder Diff. 1986, 1, 240.
29. Larson, A.; Von Dreele, R. B. GSAS. Generalized Structure Analysis System; Los Alamos National Laboratory: Los Alamos, NM, 1994.
30. Lightfoot, P.; Hriljac, J. A.; Pei, S.; Zheng, Y.; Mitchel, A. W.; Richards, D. R.; Dabrowski, B.; Jorgensen, J. D.; Hinks, D. J. J. Solid State Chem. 1991, 92, 473.
31. LeBail, A.; Marcos, M. D.; Amoros, P. Inorg. Chem. 1994, 33, 2607.
32. Cheetham A. K.; Wilkinson A. P. J. Phys. Chem. Solids 1991, 52, 1199.
33. Harrison, W. A.; Gier, T. E.; Nicol, J. M.; Stucky, G. D. J. Solid State Chem. 1995, 114, 249.
34. (a) Visser, J. M. J. Appl. Crystallogr. 1969, 2, 89.
35. (b) Werner, P.-E.; Erickson, L.; Westdahl, M. J. Appl. Crystallogr. 1985, 18, 367.
36. (c) Louer, D.; Vargas, R. J. Appl. Crystallogr. 1982, 15, 542.
37. Poojary, D. M.; Bortun, A. I.; Bortun, L. N.; Clearfield, A. Inorg. Chem. 1997, 36, 3072.
38. TEXSAN, Structure Analysis Package; Molecular Structure Corp.; The Woodlands, TX, 1987.
39. Gilmore, G. J. J. Appl. Crystallogr. 1984. 17, 42.
40. Westman, S.; Werner, P.-E.; Schuler, T.; Raldow, W. Acta Chem. Scand., Ser. A 1981, 35, 46.
41. (b) Adelskold, V.; Werner, P.-E.; Sundberg, M.; Uggla, R. Acta Chem. Scand., Ser. A 1981, 35, 789.
42. (a) Poojary, D. M.; Clearfield, A. Inorg. Chem. 1994, 33, 3685.
43. (b) Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Porter, D.; Villeneuve, G. J. Solid State Chem. 1989, 79, 169.
44. (c) Poojary, D. M.; Zhang, Y.; Cox, D. E.; Rudolf, P. R.; Cheng, S.; Clearfield, A. J. Chem. Crystallogr. 1994, 24, 155.
45. (d) Grey, I. E.; Stranger R. J. Solid State Chem. 1992, 101, 331.
46. (e) Hiraguchi, H.; Hashizume, H.; Fukunaga, O.; Takenaka, A.; Sakata, M. J. Appl. Crystallogr. 1991, 24, 286.
47. (f) Lasocha, W.; Jansen, J.; Schenk. H. J. Solid State Chem. 1994, 109, 1.
48. (i) Plaisier, J. R.; Jansen, J.; Graaff, R. A. G.; Ijdo, J. W. J. Solid State Chem. 1995, 115, 464.
49. (j) Louer, D.; Louer, M. J. Solid State Chem. 1987, 68, 292.
50. (k) Rudolf, P. R.; Clearfield, A. Inorg. Chem. 1989, 28, 1707.
51. (l) Morris, R. E.; Harrison, W. T. A.; Nicol, J. M.; Wilkinson, A. P.; Cheetham, A. K. Nature 1992, 359, 519.
52. (m) Poojary, D. M.; Zhang, B.; Clearfield, A. J. Chem. Soc., Dalton Trans. 1994, 2453.
53. (n) Lightfoot, P.; Glidewell, C.; Bruce, P. G. J. Mater. Chem. 1992, 2, 361.
54. (o) Masciocchi, N.; Cairati, P.; Ragaini, F.; Sironi, A. Organometallics, 1993, 12, 4499.
55. (p) Masciocchi, N.; Moret, M.; Cairati, P.; Ragaini, F.; Sironi, A. J. Chem. Soc., Dalton Trans. 1993, 471.
56. (a) Benard, P. Louer, D. J. Phys. Chem. Solids 1995, 56, 1345.
57. (b) Gascoigne, D.; Tarlings, S. E.; Barnes, P.; Pygall C. F.; Benard P.; Louer, D. J. Appl. Crystallogr. 1994, 27, 399.
58. (c) Benard, P.; Seguin, L. Louer, D.; Figlarz, M. J. Solid State Chem. 1994, 108, 170.
59. (d) Pivan, J. Y.; Achak, O.; Louer, D. Chem. Mater. 1994, 6, 827.
60. (e) Benard, P.; Louer, D.; Dacheux, N.; Brande, V.; Genet, M. Chem. Mater. 1994, 6, 1049.
61. Le Bail, A. J. Solid State Chem. 1993, 103, 287.
62. Clearfield, A. Curr. Opin. Solid State Mater. Sci. 1996, 1, 268.
63. Poojary, D. M.; Clearfield, A. J. Organomet. Chem. 1996, 512, 237.
64. Poojary, M. D.; Hu, H. L.; Campbell, F. L.; Clearfield, A. Acta Crystallogr., Sect B 1993, 49, 996.
65. Poojary, D. M.; Bhardwaj, C.; Clearfield, A. J. Mater. Chem. 1995, 5 (1), 171.
66. Poojary, D. M.; Zhang, Y.; Zhang, B.; Clearfield, A. Chem. Mater. 1995, 7, 822;
67. Poojary, M. D.; Vermeulen, L. A.; Vicenzi, E.; Clearfield, A.; Thompson, M. E. Chem. Mater. 1994, 6, 1845;
68. Poojary, M. D.; Zhang, B.; Clearfield, A. Angew. Chem., Int. Ed. Engl. 1994, 33, 2324.
69. Poojary, D. M.; Zhang, B.; Cabeza, A.; Aranda, M. A. G.; Bruque, B.; Clearfield, A. J. Mater. Chem. 1996, 6 (4), 639.
70. Poojary, D. M.; Grohol, D.; Clearfield, A. J. Phys. Chem. Solids 1995, 56, 1383.
71. (a) Poojary, D. M.; Clearfield, A. J. Am Chem. Soc. 1995, 117, 11278.
72. (b) Martin, K. J.; Squattrito, P. J.; Clearfield, A. Inorg. Chem. Acta 1989, 155, 7.
73. Poojary, D. M.; Zhang, B.; Bellinghausen, P., Clearfield, A., Inorg. Chem. 1996, 35, 5254;
74. Poojary, D. M.; Zhang, B.; Bellinghausen, P., Clearfield, A. Inorg. Chem. 1996, 35, 4942.
75. Poojary, D. M.; Zhang, B. Clearfield, A. J. Am. Chem. Soc., in press.
76. Byrd, H.; Clearfield, A.; Poojary, D. M.; Reis, K. P.; Thompson, M. E. Chem. Mater. 1996, 8, 2239.
77. Neels, A.; Neels, B. M.; Evans, H. S.; Clearfield, A.; Poojary, D. M. Unpublished results.
78. Anthony, R. G.; Philip, C. V.; Dosch, R. G. Waste Manage. 1993, 13, 503.
79. Poojary, D. M.; Cahill, R. A.; Clearfield, A. Chem. Mater. 1994, 6, 2367.
80. Poojary, D. M.; Bortun, A.; Bortun, L.; Clearfield, A. Inorg. Chem. 1996, 35, 6131.
81. (a) Behrens, E. A.; Poojary, D. M.; Clearfield, A. Chem. Mater. 1996, 8, 1236.
82. (b) Roberts, M. A.; Fitch, A. N. Z. Kristallogr. 1996, 211, 378.
83. (a) Cheetham A. K.; Wilkinson, A. P. Angew Chem., Int. Ed. Engl. 1992, 31, 1557.
84. (b) Catlow, C. R. A., Pattison, P., Guest Eds. Synchrotron Radiation and Inorganic Crystallography. J. Phys. Chem. Solids 1991, 52, No. 10.
85. Lightfoot, P.; Hriljac, J. A.; Pei, S.; Zheng, Y.; Mitchel, A. W.; Richards, D. R.; Dabrowski, B.; Jorgensen, J. D.; Hinks, D. J. J. Solid State Chem. 1991, 92, 473.
86. Wright, P. A.; Thomas, J. M.; Cheetham, A. K.; Nowak. A. K. Nature 1985, 318, 611.
87. Shankland, K. Presented at XVII Congress of International Union of Crystallography, Seattle, WA, 1996.
88. (a) Wilson, C. C.; Wadsworth, J. W. Acta Crystallogr. 1990, A46, 258.
89. (b) Rius, J.; Miravitlles, C. J. Appl. Crystallogr. 1987, 20, 261.
90. (c) Rius, J.; Miravitlles, C. J. Appl. Crystallogr. 1988, 21, 224.
91. (d) Cirujeda, J.; Ochando, L. E.; Amigo, J. M.; Rovira, C.; Rius, J.; Veciana, J. Angew. Chem., Int. Ed. Engl. 1995, 34, 55.
92. (a) Harris, K. D. M.; Tremayne, M.; Lightfoot, P.; Bruce, P. G. J. Am. Chem. Soc, 1994, 116, 3543.
93. (b) Kariuki, B. M..; Zin, D. M. S.; Tremayne, M.; Harris, K. D. M. Chem. Mater. 1996, in press.
94. Metropolis, N.; Rosenbluth, N.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.
95. Ramprasad, D.; Pez, G. P.; Toby, B. H.; Markley, T. J.; Pearlstein, R. M. J. Am. Chem. Soc. 1995, 117, 10694.
96. (a) David, W. I. F. Nature 1990, 346, 731.
97. (b) Bricogne, G. Acta Crystallogr. 1991, A47, 803.
98. (c) Gilmore, C. J.; Henderson, K. Bricogne, G. Acta Crystallogr. 1991, A47, 830.
99. (d) Bricogne, G.; Gilmore, C. J. Acta Crystallogr. 1990, A46, 284.
100. (e) Gilmore, C. J.; Bricogne, G.; Bannister, C. Acta Crystallogr. 1990, A46, 297.
101. (f) Antoniadis, A.; Berruyer, J.; Filhol, A. Acta Crystallogr. 1990, A46, 692.
102. (63) (a) Tremayne, M.; Lightfoot, P.; Mehtha, M. A.; Bruce, P. G.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G. J. Solid State Chem. 1992, 100, 191. Tremayne, M.; Lightfoot, P.; Glidwell, C.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G.; Bruce, P. G. J. Solid State Chem. 1992, 100, 191.
103. (a) Tremayne, M.; Lightfoot, P.; Mehtha, M. A.; Bruce, P. G.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G. J. Solid State Chem. 1992, 100, 191. Tremayne, M.; Lightfoot, P.; Glidwell, C.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G.; Bruce, P. G. J. Solid State Chem. 1992, 100, 191.
104. (a) Christensen, A. N.; Hazell, R. G.; Bell, A. T. M.; Altomare, A. J. Phys. Chem. Solids 1995, 56, 1359.
105. (b) Cheetham, A. K.; A. P. Wilkinson, J. Phys, Chem. Solids 1991, 52, 1199.
106. Madsen, I. C.; Hill, R. J. J. Appl. Crystallogr. 1994, 27, 385.
107. SIRPOW.92: Altomare, A.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Burla, M. C.; Polidori, G.; Camalli, M. J. Appl. Crystallogr. 1994, 27, 435.
108. Giacovazzo, C. Acta Crystallogr., Sect A 1996, 52, 331.
109. (a) David, W. I. F. J. Appl. Crystallogr. 1987, 20, 316.
110. (b) Easterman, M. A.; McCusker, L. B.; Baerlocher, J. Appl. Crystallogr. 1992, 25, 539.
111. Sivia, D. S.; David, W. I. F. Acta Crystallogr. 1994, A50, 703.
112. (b) Jansen, J.; Peschar, R.; Schenk, H. J. Appl. Crystallogr. 1992, 25, 237.