The metal-rich palladium chalcogenides Pd2MCh2 (M=Fe, Co, Ni; Ch=Se, Te): Crystal structure and topology of the electron density

Journal of Solid State Chemistry

Volumn 180, Issue 1, 2007, Pages 191-197

  Pocha, Regina ^a,b   Löhnert, Catrin ^a   Johrendt, Dirk ^a  

^a UNIVERSITY OF MUNICH   (Germany)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

Bader analysis; Chalcogenides; Crystal structure; Iron group metals; Palladium

Indexed keywords

CARRIER CONCENTRATION; CRYSTAL STRUCTURE; INORGANIC COMPOUNDS; SILICA; TOPOLOGY; X RAY DIFFRACTION;

BADER ANALYSIS; CHALCOGENIDES; IRON GROUP METALS;

PALLADIUM COMPOUNDS;

EID: 33846191140     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2006.09.028     Document Type: Article

References (40)

1. Franzen H.F. Prog. Solid State Chem. 12 (1978) 1-39
2. Corbett J.D. J. Solid State Chem. 37 (1981) 335-351
3. Franzen H.F. J. Solid State Chem. 64 (1986) 283-286
4. Simon A. In: Cheetham A.K., and Day P. (Eds). Solid State Chemistry Compounds (1992), Oxford University Press, Oxford 112-165
5. Hughbanks T. J. Alloys Compd. 229 (1995) 40-53
6. Tremel W., Kleinke H., Derstroff V., and Reisner C. J. Alloys Compd. 219 (1995) 73-82
7. Simon A. J. Alloys Compd. 229 (1995) 158-174
8. Ghorayeb A.M. Key Eng. Mater. 155-156 (1999) 159-197
9. Gruener G., and Zettl A. Phys. Rep. 119 (1985) 117-232
10. Rouxel J., Meerschaut A., Guemas L., and Gressier P. Ann. Chim. Paris France 7 (1982) 445-457
11. Imada M., Fujimori A., and Tokura Y. Rev. Mod. Phys. 70 (1998) 1039-1263
12. Nagata S., and Atake T. J. Therm. Anal. Calorim. 57 (1999) 807-821
13. Felser C., and Seshadri R. Int. J. Inorg. Mat. 2 (2000) 677-685
14. Ramirez A.P., Cava R.J., and Krajewski J. Nature (London) 386 (1997) 156-158
15. Stevels A.L.N., and Jellinek F. Monatsh. Chem. 102 (1971) 1679-1688
16. Gulay L.D., and Olekseyuk I.D. J. Alloys Compd. 376 (2004) 131-138
17. Matkovic P., and Schubert K. J. Less-Comm. Met. 52 (1977) 217-220
18. Matkovic P., and Schubert K. J. Less-Comm. Met. 58 (1978) P39-P46
19. Cenzual K., Gelato L.M., Penzo M., and Parthe E. Acta Crystallogr. B: Struct. Sci. B 47 (1991) 433-439
20. Janetzky M., Harbrecht B., and Anorg Z. Allg. Chem. 632 (2006) 837-844
21. Sato S., Takabatake T., and Ishikawa M. Acta Crystallogr. C: Cryst. Struct. Commun. C 45 (1989) 1-3
22. Takabatake T., Ishikawa M., and Jorda J.L. J. Less-Comm. Met. 134 (1987) 79-89
23. X-SHAPE. Crystal Optimization for Numerical Absorption Correction (1999), Stoe & Cie GmbH, Darmstadt
24. X-RED32. X-RED Data Reduction (2004), Stoe & Cie GmbH, Darmstadt
25. SHELXS, A Program for Crystal Structure Solution, 1997, Sheldrick, G.M., Universität Göttingen.
26. SHELXL, A program for crystal structure refinement. Sheldrick, G.M., Universität Göttingen, 1997.
27. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2k-An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties, TU Wien, 2001.
28. Schwarz K., and Blaha P. Comput. Mater. Sci. 28 (2003) 259-273
29. Kara M., and Kurki-Suonio K. Acta Crystallogr. A: Found. Crystallogr. A 37 (1981) 201-210
30. Vielhaber E., and Hoppe R. Z. Anorg. Allg. Chem. 360 (1968) 7-14
31. Bronger W., and Bomba C. J. Less-Comm. Met. 158 (1990) 169-176
32. L. Pauling, Die Natur der chemischen Bindung, Verlag Chemie GmbH, Weinheim, 1976.
33. Peters J., and Krebs B. Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry B 38 (1982) 1270-1272
34. 2 were used. Space group Ibam; a=6.578 Å, b=11.815 Å, c=12.818 Å; Na: 0.3494 0.1488 0; Co: 0 0 0.25; Se 0.2029 0.8906 0. The FLAPW calculations converged without significant atomic forces, so no structure optimization was necessary.
35. Stoner E.C. Proc. Roy. Soc. (London) A 165 (1938) 372
36. Stoner E.C. Proc. Roy. Soc. (London) A 169 (1939) 339-371
37. Janak J.F. Phys. Rev. B 16 (1977) 255-262
38. Bader R.F.W. Atoms in Molecules-A Quantum Theory (1990), Oxford University Press, London
39. Aray Y., Rodriguez J., and Vega D. J. Phys. Chem. B 104 (2000) 4608-4612
40. Mori-Sanchez P., Pendas A.M., and Luana V. J. Am. Chem. Soc. 124 (2002) 14721-14723