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  The Metallic Zintl Phase Ba3Si4 - Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties

Aydemir, U., Ormeci, A., Borrmann, H., Böhme, B., Zürcher, F., Uslu, B., et al. (2008). The Metallic Zintl Phase Ba3Si4 - Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties. Zeitschrift für anorganische und allgemeine Chemie, 634, 1651-1661. doi:10.1002/zaac.200800116.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-2838-F Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002E-7F57-1
Genre: Journal Article

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 Creators:
Aydemir, U.1, Author              
Ormeci, A.1, Author              
Borrmann, H.2, Author              
Böhme, B.3, Author              
Zürcher, F., Author
Uslu, B., Author
Goebel, T.4, Author              
Schnelle, W.5, Author              
Simon, P.6, Author              
Carrillo-Cabrera, W.1, Author              
Haarmann, F.4, Author              
Baitinger, M.7, Author              
Nesper, R., Author
von Schnering, H. G., Author
Grin, Y.8, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Horst Borrmann, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863410              
3Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863408              
4Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
5Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
6Paul Simon, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863418              
7Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863416              
8Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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Free keywords: barium; tribariumtetrasilicide; Zintl phases; phase diagrams; electronic structure; chemical bonding; nanoporous silicon; crystal structures
 Abstract: The Zintl phase Ba3Si4 has been synthesized from the elements at 1273 K as a single phase. No homogeneity range has been found. The compound decomposes peritectically at 1307(5) K to BaSi2 and melt. The butterfly-shaped Si-4(6-) Zintl anion in the crystal Structure of Ba3Si4 (Pearson symbol tP28, space group P4(2)/mnm, 8.5233(3) angstrom, c = 11.8322(6) angstrom) shows only slightly different Si-Si bond lengths of d(Si-Si) = 2.4183(6) angstrom (1 x) and 2.4254(3) angstrom (4x). The compound is diamagnetic with chi approximate to -50 x 10(-6) cm(3) mol(-1). DC resistivity measurements show a high electrical resistivity (rho(300 K) 1.2 x 10(-3) Omega m) with positive temperature gradient d rho/dT The temperature dependence of the isotropic signal shift and the spin-lattice relaxation times in Si-29 NMR spectroscopy confirms the metallic behavior. The experimental results are in accordance with the calculated electronic band structure. which indicates a metal with a low density of states at the Fermi level. The electron localization function (ELF) is used for analysis of chemical bonding. The reaction of solid Ba3Si4 with gaseous HCl leads to the oxidation of the Si-4(6-) Zintl anion and yields nanoporous silicon.

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Language(s): eng - English
 Dates: 2008
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: eDoc: 378229
ISI: 000258670200003
DOI: 10.1002/zaac.200800116
 Degree: -

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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : Journal of Inorganic and General Chemistry
  Other : J. Inorg. Gen Chem.
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Leipzig, Weinheim : Verlag Johann Ambrosius Barth / Wiley-VCH
Pages: - Volume / Issue: 634 Sequence Number: - Start / End Page: 1651 - 1661 Identifier: Other: 1521-3749
ISSN: 0044-2313
CoNE: /journals/resource/954925453895