The importance of proper crystal-chemical and geometrical reasoning demonstrated using layered single and double hydroxides

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

Volumn 69, Issue 2, 2013, Pages 150-162

  Richardson, Ian G ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

Atomistic modelling techniques; Layered double hydroxides; X ray powder diffraction

Indexed keywords

ATOMISTIC MODELLING; DIVALENT METAL HYDROXIDES; DOUBLE HYDROXIDES; GEOMETRICAL REASONING; LAYERED DOUBLE HYDROXIDES; STRUCTURAL STUDIES; STRUCTURE DETERMINATION; TRIVALENT CATIONS;

COMPUTER SIMULATION; DIFFRACTION; MODEL STRUCTURES; POSITIVE IONS; RIETVELD REFINEMENT; X RAY POWDER DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 84882421000     PISSN: 20525206     EISSN: 20525192     Source Type: Journal    
DOI: 10.1107/S205251921300376X     Document Type: Article

References (118)

1. Allmann, R. (1968). Acta Cryst. B24, 972-977.
2. Allmann, R. (1969). Neues Jahrb. Miner. Monat. pp. 552-558.
3. Allmann, R. & Jepsen, H. P. (1969). Neues Jahrb. Miner. Monatsh. pp. 544-551.
4. Arakcheeva, A. V., Pushcharovskii, D. Yu., Rastsvetaeva, R. K., Atencio, D. & Lubman, G. U. (1996). Crystallogr. Rep. 41, 972-981.
5. del Arco,M., Malet, P., Trujillano, R. & Rives, V. (1999). Chem. Mater. 11, 624-633.
6. Baneyeva, M. I. & Popova, S. V. (1969). Geochem. Int. 6, 807-809.
7. Bellotto,M., Rebours, B., Clause, O., Lynch, J., Bazin, D. & Elkaïm, E. (1996). J. Phys. Chem. 100, 8527-8534.
8. Bertrand, G. & Dusausoy, Y. (1970). C. R. Acad. Sci. 270, 612-615.
9. Bîrjega, R., Pavel, O., Costentin, G., Che, M. & Angelescu, E. (2005). Appl. Catal. A, 288, 185-193.
10. Bode, H., Dehmelt, K. &Witte, J. (1966). Electrochim. Acta, 11, 1079-1087.
11. Bonaccorsi, E., Merlino, S. & Orlandi, P. (2007). Am. Mineral. 92, 198-203.
12. Bookin, A. S., Cherkashin, V. I. & Drits, V. A. (1993). Clays Clay Miner. 41, 558-564.
13. Bookin, A. S. & Drits, V. A. (1993). Clays Clay Miner. 41, 551-557.
14. Braithwaite, R. S. W., Dunn, P. J., Pritchard, R. G. & Paar, W. H. (1994). Mineral. Mag. 58, 79-85.
15. Braterman, P. S., Xu, Z. P. & Yarberry, F. (2004). Handbook of Layered Materials, edited by S. A. Auerbach, K. A. Carrado & P. K. Dutta, pp. 373-474. New York: Marcel Dekker.
16. Brindley, G. W. & Kao, C. (1984). Phys. Chem. Miner. 10, 187-191.
17. Brindley, G. W. & Kikkawa, S. (1979). Am. Mineral. 64, 836-843.
18. Brindley, G. W. & Kikkawa, S. (1980). Clays Clay Miner. 28, 8784- 8791.
19. Budhysutanto, W., van Agterveld, D., Schomaker, E., Rossenaar, B., van Rosmalen, G. & Kramer, H. (2011). Appl. Clay Sci. 52, 374- 380.
20. Busing, W. R. & Levy, H. A. (1957). J. Chem. Phys. 26, 563-568.
21. Carteret, C., Grégoire, B. & Ruby, C. (2011). Solid State Sci. 13, 146- 150.
22. Catti, M., Ferraris, G., Hull, S. & Pavese, A. (1995). Phys. Chem. Miner. 22, 200-206.
23. Cavani, F., Trifiro, F. & Vaccari, A. (1991). Catal. Today, 11, 173-301.
24. Černý, R., Valvoda, V. & Chládek, M. (1995). J. Appl. Cryst. 28, 247- 253.
25. Chakoumakos, B. C., Loong, C. & Schultz, A. J. (1997). J. Phys. Chem. B, 101, 9458-9462.
26. Christensen, A. & Ollivier, G. (1972). Solid State Commun. 10, 609- 614.
27. Cooper, M. A. & Hawthorne, F. C. (1996). Can. Mineral. 34, 91-96.
28. Constantino, U., Marmottini, F., Nocchetti, M. & Vivani, R. (1998). Eur. J. Inorg. Chem. pp. 1439-1446.
29. Denton, A. R. & Ashcroft, N. W. (1991). Phys. Rev. A, 43, 3161-3164.
30. Desgranges, L., Calvarin, G. & Chevrier, G. (1996). Acta Cryst. B52, 82-86.
31. Drits, V. A. & Bookin, A. S. (2001). Layered Double Hydroxides: Present and Future, edited by V. Rives, Ch. 2, pp. 41-100. New York: Nova Science Publishers, Inc.
32. Drits, V. A., Sokolova, T. N., Sokolova, G. V. & Cherkashin, V. I. (1987). Clays Clay Mineral. 35, 401-417.
33. Ennadi, A., Legrouri, A., De Roy, A. & Besse, J. (2000). J. Solid State Chem. 152, 568-572.
34. d'Espinose de la Caillerie, J., Kermarec, M. & Clause, O. (1995). J. Am. Chem. Soc. 117, 11471-11481.
35. Evans, D. G. & Slade, R. C. T. (2006). Struct. Bond. 119, 1-87.
36. Feitknecht, W. (1938). Helv. Chim. Acta, 21, 766-784.
37. Forano, C., Hibino, T., Leroux, F. & Taviot-Guého, C. (2006). Handbook of Clay Science: Developments in Clay Science, edited by F. Bergaya, B. K. G. Theng & G. Lagaly, Vol. 1, Ch. 13.1, pp. 1021-1095. Elsevier, Amsterdam.
38. Gartner, E. (2004). Cem. Concr. Res. 34, 1489-1498.
39. Gastuche, M. C., Brown, G. & Mortland, M. M. (1967). Clay Miner. 7, 177-192.
40. Gibbs, G., Wallace, A., Cox, D., Downs, R., Ross, N. & Rosso, K. (2009). Am. Mineral. 94, 1085-1102.
41. Han, S., Hou,W., Zhang, C., Sun, D., Huang, X. &Wang, G. (1998). J. Chem. Soc. Faraday Trans. 94, 915-918.
42. Han, Y., Li, H.,Ma, X. & Liu, Z. (2009). Solid State Sci. 11, 2149-2155.
43. Hu, W. & Noréus, D. (2003). Chem. Mater. 15, 974-978.
44. Hudson, D. R. & Bussell, M. (1981). Mineral. Mag. 44, 345-350.
45. Huminicki, D. M. & Hawthorne, F. C. (2003). Can. Mineral. 41, 79-82.
46. Indira, L., Dixit, M. & Kamath, P. (1994). J. Power Sources, 52, 93-97.
47. Ingram, L. & Taylor, H. F. W. (1967). Mineral. Mag. 36, 465-479.
48. Intissar, M., Jumas, J., Besse, J. & Leroux, F. (2003). Chem. Mater. 15, 4625-4632.
49. Isetti, G. (1965). Period. Mineral. 34, 327-335.
50. Iyi, N., Fujii, K., Okamoto, K. & Sasaki, T. (2007). Appl. Clay Sci. 35, 218-227.
51. Iyi, N. & Sasaki, T. (2008). J. Colloid Interface Sci. 322, 237-245.
52. Ji, Q., Pellenq, R. J. & Van Vliet, K. J. (2012). Comput. Mater. Sci. 53, 234-240.
53. Jinesh, C., Antonyraj, C. A. & Kannan, S. (2010). Appl. Clay Sci. 48, 243-249.
54. Johnsen, R. E., Krumeich, F. & Norby, P. (2010). J. Appl. Cryst. 43, 434-447.
55. Johnson, C. A. & Glasser, F. P. (2003). Clays Clay Miner. 51, 1-8.
56. Kamath, P. V., Dixit, M., Indira, L., Shukla, A. K., Kumar, V. G. & Munichandraiah, N. (1994). J. Electrochem. Soc. 141, 2956-2959.
57. Kaneyoshi, M. & Jones, W. (1999). J. Mater. Chem. 9, 805-811.
58. Kazimirov, V., Smirnov, M., Bourgeois, L., Guerlou-Demourgues, L., Servant, L., Balagurov, A., Natkaniec, I., Khasanova, N. & Antipov, E. (2010). Solid State Ionics, 181, 1764-1770.
59. Kooli, F., Chisem, I. C., Vucelic, M. & Jones, W. (1996). Chem. Mater. 8, 1969-1977.
60. Kovanda, F., Rojka, T., Bezdička, P., Jirátová, K., Obalová, L., Pacultová, K., Bastl, Z. & Grygar, T. (2009). J. Solid State Chem. 182, 27-36.
61. Krivovichev, S. V., Yakovenchuk, V. N., Zhitova, E. S., Zolotarev, A. A., Pakhomovsky, Y. A. & Ivanyuk, G. Yu. (2010a). Mineral. Mag. 74, 821-832.
62. Krivovichev, S. V., Yakovenchuk, V. N., Zhitova, E. S., Zolotarev, A. A., Pakhomovsky, Y. A. & Ivanyuk, G. Yu. (2010b). Mineral. Mag. 74, 833-840.
63. Kukkadapu, R. K.,Witkowski, M. S. & Amonette, J. E. (1997). Chem. Mater. 9, 417-419.
64. Leroux, F., Moujahid, E. M., Taviot-Guého, C. & Besse, J. (2001). Solid State Sci. 3, 81-92.
65. Li, H., Ma, J., Evans, D. G., Zhou, T., Li, F. & Duan, X. (2006). Chem. Mater. 18, 4405-4414.
66. Lombardo, G. M., Pappalardo, G. C., Punzo, F., Costantino, F., Costantino, U. & Sisani, M. (2005). Eur. J. Inorg. Chem. pp. 5026- 5034.
67. López-Salinas, E., García-Sánchez, M., Montoya, J. A., Acosta, D. R., Abasolo, J. A. & Schifter, I. (1997). Langmuir, 13, 4748-4753.
68. Lozano, R. P., Rossi, C., La Iglesia, A. & Matesanz, E. (2012). Am. Mineral. 97, 513-523.
69. Manohara, G. V., Prasanna, S. V. & Kamath, P. V. (2011). Eur. J. Inorg. Chem. pp. 2624-2630.
70. Manohara, G. V. & Vishnu Kamath, P. (2010). Bull. Mater. Sci. 33, 325-331.
71. Mascolo, G. & Marino, O. (1980). Mineral. Mag. 43, 619-621.
72. Meng,W., Li, F., Evans, D. G. & Duan, X. (2004). Mater. Res. Bull. 39, 1185-1193.
73. Merlino, S. & Orlandi, P. (2001). Am. Mineral. 86, 1293-1301.
74. Mills, S. J., Christy, A. G., Genin, J.-M. R., Kameda, T. & Colombo, F. (2012). Mineral. Mag. 76, 1289-1336.
75. Mills, S. J., Christy, A. G., Kampf, A. R., Housley, R. M., Favreau, G., Boulliard, J.-C. & Bourgoin, V. (2012). Mineral. Mag. 76, 1337- 1345.
76. Mills, S. J., Kampf, A. R., Housley, R. M., Favreau, G., Pasero, M., Biagioni, C., Merlino, S., Berbain, C. & Orlandi, P. (2012). Mineral. Mag. 76, 1347-1354.
77. Mills, S. J.,Whitfield, P. S., Kampf, A. R., Wilson, S. A., Dipple, G. M., Raudsepp, M. & Favreau, G. (2012). J. Geosci. 57, 273-279.
78. Mills, S. J., Whitfield, P. S., Wilson, S. A., Woodhouse, J. N., Dipple, G. M., Raudsepp, M. & Francis, C. A. (2011). Am. Mineral. 96, 179- 187.
79. Miyata, S. (1980). Clays Clay Miner. 28, 50-56.
80. O'Keeffe, M. (1977). Acta Cryst. A33, 924-927.
81. Oliva, P., Leonardi, J., Laurent, J. F., Delmas, C. & Braconnier, J. J. (1982). J. Power Sources, 8, 229-255.
82. Oswald, H. R. & Asper, R. (1977). Preparation and Crystal Growth of Materials with Layered Structures, edited by R. M. A. Leith, pp. 71- 140. Dordrecht: D. Reidel Publishing Co.
83. Parise, J. B., Marshall, W. G., Smith, R. I., Lutz, H. D. & Moller, H. (2000). Am. Mineral. 85, 189-193.
84. Pastor-Rodriguez, J. & Taylor, H. F.W. (1971). Mineral. Mag. 38, 286- 294.
85. Pausch, I., Lohse, H.-H., Schurmann, K. & Allmann, R. (1986). Clays Clay Mineral. 34, 507-510.
86. Pellenq, R. J., Kushima, A., Shahsavari, R., Van Vliet, K. J., Buehler, M. J., Yip, S. & Ulm, F. J. (2009). Proc. Natl Acad. Sci. USA, 106, 16102-16107.
87. Pérez-Ramírez, J., Mul, G. & Moulijn, J. (2001). Vib. Spectrosc. 27, 75-88.
88. Pertlik, F. (1999). Monatsh. Chem. 130, 1083-1088.
89. Prevot, V., Caperaa, N., Taviot-Guého, C. & Forano, C. (2009). Cryst. Growth Des. 9, 3649-3654.
90. Radha, A. V., Kamath, P. V. & Shivakumara, C. (2007a). J. Phys. Chem. B, 111, 3411-3418.
91. Radha, A. V., Kamath, P. V. & Shivakumara, C. (2007b). Acta Cryst. B63, 243-250.
92. Radha, S., Prasanna, S. V. & Kamath, P. V. (2011). Cryst. Growth Des. 11, 2287-2293.
93. Rao, K. K., Gravelle, M., Valente, J. S. & Figueras, F. (1998). J. Catal. 173, 115-121.
94. Richardson, I. G. (2008). Cem. Concr. Res. 38, 137-158.
95. Rius, J. & Allmann, R. (1984). Z. Kristallogr. 168, 133-144.
96. Rius, J. & Plana, F. (1986). Neues Jahrb. Miner. Monatsh. pp. 263-272.
97. Rives, V., Prieto, O., Dubey, A. & Kannan, S. (2003). J. Catal. 220, 161-171.
98. Roussel, H., Briois, V., Elkaim, E., de Roy, A. & Besse, J. P. (2000). J. Phys. Chem. B, 104, 5915-5923.
99. Roy, A. de, Forano, C. & Besse, J. P. (2001). Layered Double Hydroxides: Present and Future, edited by V. Rives, Ch. 1, pp. 1-39. New York: Nova Science Publishers, Inc.
100. Rozov, K., Berner, U., Taviot-Gueho, C., Leroux, F., Renaudin, G., Kulik, D. & Diamond, L. (2010). Cem. Concr. Res. 40, 1248-1254.
101. Sato, T., Fujita, H., Endo, T. & Shimada, M. (1988). React. Solid. 5, 219-228.
102. Shannon, R. D. (1976). Acta Cryst. A32, 751-767.
103. Shen, J., Kobe, J. M., Chen, Y. & Dumesic, J. A. (1994). Langmuir, 10, 3902-3908.
104. Taylor, H. F. W. (1969). Mineral. Mag. 37, 338-342.
105. Taylor, H. F. W. (1973). Mineral. Mag. 39, 377-389.
106. Taylor, H. F. W. (1997). Cement Chemistry, 2nd ed. London: ICE Publishing.
107. Thevenot, F., Szymanski, R. & Chaumette, P. (1989). Clays Clay Miner. 37, 396-402.
108. Tsuji, M., Mao, G., Yoshida, T. & Tamaura, Y. (1993). J. Mater. Res. 8, 1137-1142.
109. Valente, J. S., Pfeiffer, H., Lima, E., Prince, J. & Flores, J. (2011). J. Catal. 279, 196-204.
110. Vegard, L. (1921). Z. Phys. 5, 17-26.
111. Vieira, A. C., Moreira, R. L. & Dias, A. (2009). J. Phys. Chem. C, 113, 13358-13368.
112. West, A. R. (1984). Solid-State Chemistry and its Applications. Chichester: Wiley.
113. Witzke, T. & Raade, G. (2000). Neues Jahrb. Mineral. Monatsh. 10, 455-465.
114. Woodley, S. M. & Catlow, R. (2008). Nature Mater. 7, 937-946.
115. Xu, Z. P. & Zeng, H. C. (2001). J. Phys. Chem. B, 105, 1743-1749.
116. Yun, S. K. & Pinnavaia, T. J. (1995). Chem. Mater. 7, 348-354.
117. Zhitova, E. S., Yakovenchuk, V. N., Krivovichev, S. V., Zolotarev, A. A., Pakhomovsky, Y. A. & Ivanyuk, G. Y. (2010). Mineral. Mag. 74, 841-848.
118. Zigan, F. & Rothbauer, R. (1967). Neues Jahrb. Miner. Monatsh. 4-5, 137-143.