B5C5 anionic molecules trapped in a solid matrix: The crystal and electronic structures of LaBC

Zeitschrift fur Anorganische und Allgemeine Chemie

Volumn 631, Issue 6-7, 2005, Pages 1041-1046

  Babizhetskyy, Volodymyr ^a   Mattausch, Hansjürgen ^a   Gautier, Régis ^b,d   Bauer, Josef ^b   Halet, Jean François ^b,c   Simon, Arndt ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b Laboratoire de Chimie du Solide et Inorganique Moleculaire de Rennes   (France)

^c CNRS   (France)

^d UNIV RENNES   (France)

Author keywords

Crystal structure; DFT calculations; Electronic structure; Microprobe analysis; Rare earth metals boride carbide

Indexed keywords

BORON DERIVATIVE; CESIUM; LANTHANUM; NEODYMIUM; PRASEODYMIUM; SAMARIUM;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; ELECTRONICS; MELTING POINT; SOLID; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

EID: 18844435419     PISSN: 00442313     EISSN: None     Source Type: Journal    
DOI: 10.1002/zaac.200400478     Document Type: Article

References (36)

1. J. Bauer, J.-F. Halet, J.-Y. Saillard, Coord. Chem. Rev. 1998, 178-180, 723.
2. J.-F. Halet in Contemporary Boron Chemistry, M. G. Davidson, A. K. Hugues, T. B. Marder, K. Wade (Eds.), Royal Society of Chemistry, Cambridge, 2000, p. 514.
3. C. Jardin, O. Oeckler, Hj. Mattausch, A. Simon, J.-F. Halet, J.-Y. Saillard, J. Bauer. Inorg. Chem. 2000, 39, 5895.
4. F. Wiitkar, S. Kahlal, J.-F. Halet, J.-Y. Saillard, J. Bauer, P. Rogl. Inorg. Chem. 1995, 34, 1248.
5. V. Babizhetskyy, Hj. Mattausch, A. Simon, Z. Kristallogr. 2003, 218, 417.
6. V. Babizhetskyy, Hj. Mattausch, A. Simon, Z. Kristallogr. 2004, 219, 11.
7. O. Oeckler, J. Bauer, Hj. Mattausch, A. Simon, Z. Anorg. Allg. Chem. 2001, 627, 779.
8. L. G. Akselrud, Yu. N. Grin, P. Yu. Zavalii, V. K. Pecharskii, WinCSD - Universal Program Package for Single Crystal andlor Powder Structure Data Treatment, Materials Science Forum. 1993, 335, 133.
9. N. W. Alcock, Crystallogr. Computing 1970, 271.
10. L. J. Farrugia, WinGX-Version 1.64.05, J. Appl. Crystallogr. 1999, 32, 837.
11. A. Altomare, M. C. Burla, M. Camalli, B. Carroccini, G. L. Cascarano, C. Giacovazzo, A.Guagliardi, A. G. Moliterni, G. Polidori, R. Rizzi, J. Appl. Crystallogr. 1999, 32, 115.
12. G. M.Sheldrick, SHELXL-97: Program for the Refinement of Crystal Structures, University of Göttingen, Germany, 1997.
13. K. Brandenburg, DIAMOND Version 2.1e, Crystal Impakt Gbr, Bonn, Germany 1996-2001.
14. R. Hoffmann, J. Chem. Phys. 1963, 39, 1397.
15. C. Mealli, D. Proserpio, J. Chem. Educ. 1990, 67, 399.
16. a) O. K. Andersen, Phys. Rev. B 1975, 12, 3060;
17. b) O. K. Andersen, Europhys. News. 1981, 72, 4;
18. c) O. K. Andersen, in: P. Phariseau, W. M. Temmerman (Eds.), The Electronic Structure Of Complex Systems, Plenum Publishing Corporation, New York, 1984;
19. d) O. K. Andersen, O. Jepsen, Phys. Rev. Lett. 1984, 53, 2571.
20. e) O. K. Andersen, O. Jepsen, M. Sob, in: M. Yussouf (Ed.), Electronic Band Structure and Its Application, Springer-Verlag, Berlin, 1986;
21. f) H. L. Skriver, The LMTO Method, Springer-Verlag, Berlin, 1984.
22. U. von Barth, L. Hedin, J. Phys. 1972, C 5, 1629.
23. P. E. Blöchl, O. Jepsen, O. K. Andersen, Phys. Rev. B. 1994, 49, 16223.
24. a) R. Dronskowski, P. E. Blöchl, J. Phys. Chem. 1993, 97, 8617;
25. b) F. Boucher, R. Rousseau, Inorg. Chem. 1998, 37, 2351.
26. P. Gougeon, J.-F. Halet, D. Ansel, J. Bauer, Z. Kristallogr. 1996, 277, 823.
27. S. Satpathy, O. K. Andersen, Inorg. Chem. 1985, 24, 2604.
28. A. Simon, Angew. Chem. 1988, 700, 164;
29. Angew. Chem. Int. Ed. Engl. 1988, 27, 159.
30. A. Simon, Angew. Chem. 1997, 709, 1872;
31. Angew. Chem. Int. Ed. Engl. 1997, 36, 1788.
32. P. Gougeon, J.-F. Halet, D. Ansel, J. Bauer, Z. Kristallogr. 1996, 211, 822.
33. P. Gougeon, J.-F. Halet, D. Ansel, J. Bauer, Z. Kristallogr. 1996, 211, 825.
34. (a) D. Ansel, J. Bauer, F. Bonhomme, G. Boucekkine, G. Frapper, P. Gougeon, J.-F. Halet, J.-Y. Saillard, B. Zouchoune, Angew. Chem. 1996, 705, 2245;
35. Angew. Chem. Int. Ed. Engl. 1996, 35, 2098.
36. (b) J. Bauer, G. Boucekkine, G. Frapper, J.-F. Halet, J.-Y. Saillard, B. Zouchoune, J. Solid State Chem. 1997, 133, 190.