Temperature-dependent crystallographic studies and electronic structure of Ba2Cd3Bi4

Journal of Solid State Chemistry

Volumn 179, Issue 11, 2006, Pages 3371-3377

  Xia, Sheng qing ^a   Bobev, Svilen ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

Ba2Cd3Bi4; Crystal structure; Structural disorder; TB LMTO ASA calculation

Indexed keywords

CRYSTAL STRUCTURE; CRYSTALLIZATION; CRYSTALLOGRAPHY; ELECTRONIC STRUCTURE; TERNARY SYSTEMS; X RAY DIFFRACTION;

BA2CD3BI4; ELECTRONIC BAND STRUCTURE; STRUCTURAL DISORDER; TB-LMTO-ASA CALCULATION;

BARIUM COMPOUNDS;

EID: 33748572601     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2006.07.003     Document Type: Article

References (20)

1. Bobev S., Lima A., Fritsch V., Thompson J.D., Sarrao J.L., Gilleßen M., and Dronskowski R. Inorg. Chem. 45 (2006) 4047 published on the Web 04/15/2006
2. 14: Bismuth Zigzag Chains in a Ternary Alkaline-earth Transition-Metal Zintl Phase, Inorg. Chem. (2006) in print, doi:10.1021/ic060583z.
3. Bobev S., Thompson J.D., Sarrao J.L., Olmstead M.M., Hope H., and Kauzlarich S.M. Inorg. Chem. 43 (2004) 5044
4. Cordier G., Woll P., and Schäfer H. J. Less-Common Metals 86 (1982) 129
5. Brechtel E., Cordier G., and Schäfer H. J. Less-Common Metals 79 (1981) 131
6. Bruker SMART and SAINT. Bruker AXS Inc. (2002), Madison, Wisconsin, USA
7. G.M. Sheldrick SADABS, University of Göttingen, Germany, 2003.
8. The space group symbol used herein Cmce conforms to the new symbol for double glide plane "e" as suggested in the 4th revised edition of the International Tables for Crystallography, The symbol for the same space group in the older literature is referred to as Cmca.
9. G.M. Sheldrick SHELXTL, University of Göttingen, Germany, 2001.
10. Parthe E., and Gelato L.M. Acta Crystallogr. 40A (1984) 169
11. Gelato L.M., and Parthe E. J. Appl. Cryst. 20 (1987) 139
12. R.W. Tank, O. Jepsen, A. Burckhardt, O.K. Andersen, TB-LMTO-ASA Program, Version 4.7, Max-Planck-Institut Für Festkörperforschung: Stuttgart, Germany, 1998.
13. Andersen O.K., and Jepsen O. Phys. Rev. Lett. 53 (1984) 2571
14. Blöchl P., Jepsen O., and Andersen O.K. Phys. Rev. B 34 (1994) 16223
15. Dronskowski R., and Blöchl P. J. Phys. Chem. 97 (1993) 8617
16. Hughbanks T., and Hoffmann R. J. Am. Chem. Soc. 105 (1983) 3528
17. Flandorfer H., Kaczorowski D., Gröbner J., Rogl P., Wouters R., Godart C., and Kostikas A. J. Solid State Chem. 177 (2004) 3418
18. Zhao J.T., Cenzual K., and Parthe E. Acta Crystallogr. 47C (1991) 1777
19. Brechtel E., Cordier G., and Schäfer H. Z. Naturforsch. 36 9 (1981) 1099
20. Park S.-M., and Kim S.-J. J. Solid State Chem. 177 (2004) 3418