Cis-trans Germanium chains in the intermetallic compounds ALi 1xInxGe2 and A2(Li 1xInx)2Ge3 (A=Sr, Ba, Eu)-experimental and theoretical studies

Journal of Solid State Chemistry

Volumn 183, Issue 12, 2010, Pages 2895-2902

  You, Tae Soo ^a   Bobev, Svilen ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

Crystal structure; Electronic structure calculations; Polar intermetallics; Single crystal X ray diffraction

Indexed keywords

CIS-TRANS; DELOCALIZATIONS; ELECTRONIC STRUCTURE CALCULATIONS; GERMANIDES; HIGH-TEMPERATURE REACTION; INTERMETALLIC COMPOUNDS; LATTICE PARAMETERS; LINEAR MUFFIN-TIN ORBITALS; ORTHORHOMBIC SPACE GROUPS; PEARSON CODE; POLAR INTERMETALLICS; POLYANIONICS; QUATERNARY PHASIS; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURE TYPE; SUB-STRUCTURES; THEORETICAL STUDY; TIGHT BINDING;

BARIUM; CERIUM; CERIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; DIFFRACTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EUROPIUM; GERMANIUM; GERMANIUM COMPOUNDS; INTERMETALLICS; LATTICE CONSTANTS; STRONTIUM; TERNARY SYSTEMS; TIN; X RAY DIFFRACTION; X RAYS;

CRYSTAL STRUCTURE;

EID: 78649872773     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2010.09.041     Document Type: Article

References (45)

1. T.-S. You, P.H. Tobash, and S. Bobev Inorg. Chem. 49 2010 1773
2. T.-S. You, and S. Bobev J. Solid State Chem. 183 2010 1258
3. Q.-X. Xie, R. Nesper, 9thEuropean Conference on Solid State Chemistry, P016, Stuttgart, Germany, 2003.
4. Q.-X. Xie, and R. Nesper Z. Kristallogr. - New Cryst. Struct 219 2004 79
5. Q.-X. Xie, and R. Nesper Z. Anorg. Allg. Chem. 632 2006 1743
6. O.K. Andersen Phys. Rev. B 12 1975 3060
7. O.K. Andersen, and O. Jepsen Phys. Rev. Lett. 53 1984 2571
8. O.K. Andersen Phys. Rev. B 34 1986 2439
9. J.T. Vaughey, G.J. Miller, S. Gravelle, E.A. Leon-Escamilla, and J.D. Corbett J. Solid State Chem. 133 1997 501
10. V.V. Pavlyuk, V.K. Bel'skii, O.I. Bodak, and V.K. Percharskii Dopov. Akad. Nauk B 10 1987 45
11. J.-G. Mao, Z.-H. Xu, and A.M. Guloy Inorg. Chem. 40 2001 4472
12. W. Mller, H. Schfer, and A. Weiss Z. Naturforsch., B 26 1971 ) 534
13. Bruker SMART 2002 Bruker AXS Inc. Madison, Wisconsin, USA
14. Bruker SAINT 2002 Bruker AXS Inc. Madison, Wisconsin, USA
15. G.M. Sheldrick SHELXTL 2001 University of Gttingen Germany
16. G.M. Sheldrick SADABS 2003 University of Gttingen Germany
17. 3 in ourcase.
18. D.G. Park, Y. Dong, and F.J. DiSalvo J. Alloys Compd. 470 2009 ) 90
19. L.M. Gelato, and E. Parthe J. Appl. Crystallogr. 20 1987 ) 139
20. O. Jepsen, A. Burkhardt, and O.K. Andersen The TB-LMTO-ASA Program, version 4.7 1999 Max-Planck-Institut fr Festkorperforschung Stuttgart, Germany
21. O.K. Andersen, O. Jepsen, and D. Gltzel F. Bassani, F. Fumi, M. Tosi, Highlights of Condensed Matter Theory 1985 Lam- brecht, W. R. L. NewYork, North-Holland
22. O. Jepsen, and O.K. Anderson Z. Phys. B 97 1995 35
23. O.K. Anderson, and O. Jepsen Phys. Rev. Lett. 53 1984 2571
24. R. Dronskowski, and P. Blchl J. Phys. Chem. 97 1993 8617
25. P.E. Blchl, O. Jepsen, and O.K. Anderson Phys. Rev. B 49 1994 16223
26. S. Wengert, and R. Nesper Inorg. Chem. 39 2000 2861
27. P. Villars, L.D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Compounds second ed. 1991 American Society for Metals Materials Park, OH, USA and the desktop edition 1997
28. B. Chabot, H.F. Braun, K. Yvon, and E. Parthe Acta Crystallogr. B 37 1981 668
29. H.-J. Mattausch, and A. Simon Z. Naturforsch., B 59 2004 519
30. E.I. Gladyshevskii, and N.S. Uhryu Dopov. Akad. Nauk 10 1965 1326
31. F. Merlo, and M.L. Fornasini J. Less-Commom Met. 13 1967 603
32. L. Pauling The Nature of the Chemical Bond 1960 Cornell University Press Ithaca, NY
33. S. Bobev, E.D. Bauer, J.D. Thompson, J.L. Sarrao, G.J. Miller, B. Eck, and R. Dronskowski J. Solid State Chem. 177 2004 3545
34. P.H. Tobash, and S. Bobev J. Solid State Chem. 180 2007 1575
35. P.H. Tobash, D. Lins, S. Bobev, N. Hur, J.D. Thompson, and J.L Sarrao Inorg. Chem. 45 2006 7286
36. R.S. Grev Adv. Organomet. Chem 33 1991 125
37. B. Pampuch, W. Saak, and M. Weidenbruch J. Organomet. Chem. 693 2008 3540
38. V.V. Pavlyuk, V.K. Pecharskii, O.I. Bodak, and V.A. Bruskov Sov. Phys. Crystallogr. 33 1988 24
39. Q.-X. Xie, and R. Nesper Z. Kristallogr. - New Cryst. Struct 219 2004 83
40. Q.-X. Xie, and R. Nesper Z. Kristallogr. - New Cryst. Struct 218 2003 289
41. H. Schfer Annu. Rev. Mater. Sci. 5 1985 1
42. R. Nesper Prog. Solid State Chem. 20 1990 1
43. S.M. Kauzlarich, Chemistry, Structure and Bonding in Zintl Phases and Ions 1996 VCH New York and the references therein
44. 2, obviously, there will be some additional electron density in the conjugated chain (due to the small LiIn admixture), and the formal charge for Ge in those cases will be increased to ca. q=1.55/1.6.
45. G.J. Miller, C.-S. Lee, and W. Choe G. Meyer, Highlights in Inorganic Chemistry 2002 Wiley-VCH Heidelberg, 21