Cation-anion interactions as structure directing factors: Structure and bonding of Ca2CdSb2 and Yb2CdSb2

Journal of the American Chemical Society

Volumn 129, Issue 13, 2007, Pages 4049-4057

  Xia, Sheng Qing ^a   Bobev, Svilen ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM COMPOUNDS; CHEMICAL BONDS; MOLECULAR STRUCTURE; NEGATIVE IONS; POSITIVE IONS; TRANSITION METALS; X RAY DIFFRACTION ANALYSIS;

CATION-ANION INTERACTIONS; SINGLE-CRYSTAL X-RAY DIFFRACTION; UNIT CELL PARAMETERS;

REACTION KINETICS;

ANION; ANTIMONY DERIVATIVE; CADMIUM DERIVATIVE; CALCIUM DERIVATIVE; CATION; TRANSITION ELEMENT; YTTERBIUM;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; MAGNETISM; SEMICONDUCTOR; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

EID: 34247101580     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja069261k     Document Type: Article

References (73)

1. (a) Schäfer, H; Eisenmann, B.; Müller, W. Angew. Chem., Int. Ed. Engl. 1973, 12, 694-712.
2. (b) Corbett, J. D. Angew. Chem., Int. Ed. 2000, 39, 670-690.
3. (a) Kauzlarich, S. M., Ed. Chemistry, Structure and Bonding in Zintl Phases and Ions; VCH: New York, 1996, and the references therein.
4. (b) Miller, G. J. Eur. J. Inorg. Chem. 1998, 523-536.
5. Nesper, R. Angew. Chem., Int. Ed. Engl. 1991, 30, 789-817.
6. (a) Gascoin, F.; Sevov, S. C. Angew. Chem., Int. Ed. 2002, 41, 1232-1234.
7. (b) Gascoin, F.; Sevov, S. C. Inorg. Chem. 2002, 41, 2820-2825.
8. (c) Gascoin, F.; Sevov, S. C. Inorg. Chem. 2002, 41, 5920-5924.
9. (d) Gascoin, F.; Sevov, S. C. Inorg. Chem. 2003, 42, 904-907.
10. (a) Kuromoto, T. Y.; Kauzlarich, S. M.; Webb, D. J. Chem. Mater. 1992, 4, 435-440.
11. (b) Kim, H.; Condron, C. L.; Holm, A. P.; Kauzlarich, S. M. J. Am. Chem. Soc. 2000, 122, 10720-10721.
12. (C) Holm, A. P.; Park, S. M.; Condron, C. L.; Kim, H.; Klavins, P.; Grandjean, F.; Hermann, R. P.; Long G. J.; Kanatzidis, M. G.; Kauzlarich, S. M.; Kim, S. J., Inorg. Chem. 2003, 42, 4660-4667.
13. (d) Holm, A. P.; Olmstead, M. M.; Kauzlarich, S. M. Inorg. Chem. 2003, 42, 1973-1981.
14. (e) Jiang, J.; Payne, A. C.; Olmstead, M. M.; Lee, H. O.; Klavins, P.; Fisk, Z.; Kauzlarich, S. M.; Hermann, R. P.; Grandjean, F.; Long, G. J. Inorg. Chem. 2005, 44, 2189-2197.
15. (f) Brown, S. R.; Kauzlarich, S. M.; Gascoin, F.; Snyder, G. J. Chem. Mater. 2006, 18, 1873-1877.
16. (a) Chung, D.-Y.; Hogan, T.; Brazis, P.; Rocci-Lane, M.; Kannewurf, C.; Bastea, M.; Uher, C.; Kanatzidis, M. G. Science 2000, 287, 1024-1027.
17. (b) Kim, S.-J.; Salvador, J.; Bilc, D.; Mahanti, S. D.; Kanatzidis, M. G. J. Am Chem. Soc. 2001, 123, 12704-12705.
18. (c) Park, S. M.; Kim, S.-J.; Kanatzidis, M. G. Inorg. Chem. 2005, 44, 4979-4982.
19. (a) Bobev, S.; Thompson, J. D.; Sarrao, J. L.; Olmstead, M. M.; Hope, H.; Kauzlarich, S. M. Inorg. Chem. 2004, 43, 5044-5052.
20. (b) Bobev, S.; Merz, J.; Lima, A.; Fritsch, V.; Thompson, J. D.; Sarrao, J. L.; Gillessen, M.; Dronskowski, R. Inorg. Chem. 2006, 45, 4047-4054.
21. (c) Xia, S.-Q.; Bobev, S. Inorg. Chem. 2006, 45, 7126-7132.
22. (d) Xia, S.-Q.; Bobev, S. Inorg. Chem. 2007, 46, 874-883.
23. (a) Mudring, A. V.; Corbett, J. D. J. Am. Chem. Soc. 2004, 126, 5277-5281.
24. (b) Alemany, P.; Llunell, M.; Canadell, E. Inorg. Chem. 2006, 45, 7235-7241.
25. (a) Seo, D.-K.; Corbett, J. D. J. Am. Chem. Soc. 2000, 122, 9621-9627.
26. (b) Haussermann, U.; Amerioun, S.; Eriksson, L.; Lee, C. S.; Miller, G. J. J. Am. Chem. Soc. 2002, 124, 4371 -4383.
27. (c) Li, B.; Corbett, J. D. Inorg. Chem. 2006, 45, 3861-3863.
28. In the most simplified terms, the three principal factors that govern the formation, the stability, and the properties of the intermetallic phases are as follows: (i) the relative sizes of the constituent atoms: (ii) the relative electronegativities of the constituent atoms; and (iii) the valence electron concentration (vec).
29. (a) Seo, D.-K.; Corbett, J. D. J. Am. Chem. Soc. 2001, 123, 4512-4518.
30. (b) Seo, D.-K.; Corbett, J. D. J. Am. Chem. Soc. 2002, 124, 415-420.
31. (c) Li, B.; Corbett, J. D. J. Am. Chem. Soc. 2005, 127, 926-932.
32. Artmann, A.; Mewis, A.; Roepke, M.; Michels, G. Z. Anorg. Allg. Chem. 1996, 622, 679-682.
33. Clark, H. L.; Simpson, H. D.; Steinfink, H. Inorg. Chem. 1970, 9, 1962-1964.
34. Xia, S.-Q.; Bobev, S. Intermetallics 2006, doi:10.1016/j.intermet.2006.09.006.
35. (a) Villars, P.; Calvert, L. D. Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd ed.; American Society for Metals: Materials Park, OH, 1991, and the desktop edition, 1997.
36. (b) Inorganic Crystal Structure Database, Fachinformationszentrum (FIZ) Karlsruhe.
37. Mewis, A. Z. Naturforsch. 1978, 33B, 382-384.
38. (a) SMART and SAINT; Bruker AXS Inc.: Madison, Wisconsin, U.S.A., 2002.
39. (b) Sheldrick, G. M. SADABS; University of Göttingen: Germany, 2003;
40. (c) Sheldrick, G. M. SHELXTL; University of Göttingen: Germany, 2001.
41. (a) Parthe, E.; Gelato, L. M. Acta Crystallogr. 1984, A40, 169-183.
42. (b) Gelato, L. M.; Parthe, E. J. Appl. Crystallogr. 1987, 20, 139-143.
43. (a) Andersen, O. K. Phys. Rev. B 1975, 12, 3060-3083.
44. (b) Andersen, O. K.; Jepsen, O. Phys. Rev. Lett. 1984, 53, 2571-2574.
45. (c) Andersen, O. K.; Jepsen O.; Glötzel, D. In Highlights of Condensed Matter Theory; Bassani, F., Fumi, F., Tosi, M. P., Eds.; North Holland: New York, 1985.
46. (d) Andersen, O. K. Phys. Rev. B 1986, 34, 2439-2449.
47. (e) Skriver, H. L. The LMTO Method; Springer: Berlin, 1984.
48. Jepsen, O.; Andersen, O. K. The Stuttgart TB-LMTO Program, Version 4.7.
49. Von Barth, U.; Hedin, L. J. Phys. C 1972, 5, 1629-1642.
50. Koelling, D. D.; Harmon, B. N. J. Phys. C 1977, 10, 3107-3114.
51. Lambrecht, W. R. L.; Andersen, O. K. Phys. Rev. B 1986, 34, 2439-2449.
52. Blöchl, P. E.; Jepsen, O.; Andersen, O. K. Phys. Rev. B. 1994, 49, 16223-16233.
53. Savelsherg, G.; Schäfer, H. Z. Naturforsch. 1978, 33B, 370-373.
54. Park, S.-M.; Kim, S.-J. J. Solid State Chem. 2004, 177, 3418-3422.
55. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960; p 402.
56. Ahn, K.; Tsokol, A. O.; Mozharivskyj, Y.; Gschneidner, K. A.; Pecharsky, V. K. Phys. Rev. B 2005, 72, 054404.
57. Tobash, P. H.; Bobev, S. J. Am. Chem. Soc. 2006, 128, 3532-3533.
58. (a) Mozharivskyj, Y.; Pecharskv, A. O.; Pecharsky, V. K.; Miller, G. J. J. Am. Chem. Soc. 2005, 127, 317-324.
59. (b) Meyers, J.; Chumbley, S.; Choe, W.; Miller, G. J. Phys. Rev. B 2002, 66, 012106.
60. Poudeu, P. F. P.; Kanatzidis, M. G. Chem. Commun. 2005, 21, 2672-2674.
61. Nuspl, G.; Polborn, K.; Evers, J.; Landrum, G. A.; Hoffmann, R. Inorg. Chem. 1996, 35, 6922-6932 and the references therein.
62. The electron count does not include the d-electrons; only s- and p-electrons are considered. The number is per unit cell (Z = 4), following the electron counting scheme from ref 32.
63. Cordier, G.; Schäfer, H. Angew. Chem., Int. Ed. Engl. 1981, 20, 466-466.
64. (a) Zheng, C.; Hoffmann, R.; Nesper, R.; von Schnering, H. G. J. Am. Chem. Soc. 1986, 108, 1876.
65. (b) Zheng, C.; Hoffmann, R. J. Solid State Chem. 1988, 72, 58.
66. (c) Burdett, J. K.; Miller, G. J. Chem. Mater. 1990, 2, 12.
67. Mao, J.-G.; Xu, Z. -H.; Guloy, A. M. Inorg. Chem. 2001, 40, 4472-4477.
68. Gascoin, F.; Ottensmann, S.; Stark, D.; Haile, S. M.; Snyder, G. J. Adv. Funct. Mater. 2005, 15, 1860-1864.
69. (a) Li, B.; Mudring, A.-V.; Corbett, J. D. Inorg. Chem. 2003, 42, 6940-6945.
70. (b) Mudring, A.-V.; Corbett, J. D. Inorg. Chem. 2005, 44, 5636-5640.
71. (a) Dronskowski, R. Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others; Wiley-VCH: Weinheim, Germany, 2005.
72. (b) Bobev, S.; Bauer, E. D.; Thompson, J. D.; Sarrao, J. L.; Miller, G. J.; Eck, B.; Dronskowski, R. J. Solid State Chem. 2004, 177, 3545.
73. Kittel, C. Solid State Physics; Academic Press: New York, 1968.