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Title: Boron site preference in ternary Ta and Nb boron silicides

Abstract

X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type,more » B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.« less

Authors:
 [1];  [2];  [2];  [3];  [2];  [1];  [4];  [5];  [1]
  1. Institute of Physical Chemistry, University of Vienna, Waehringerstrasse 42, A-1090 Wien (Austria)
  2. Escola de Engenharia de Lorena (EEL), Universidade de Sao Paulo (USP), Polo Urbo-Industrial Gleba AI-6, Caixa Postal 116, 12602-810 Lorena, SP (Brazil)
  3. (Brazil)
  4. Laboratoire L. Brillouin, CEA/Saclay, F-91191 Gif sur Yvette (France)
  5. Institute of Mineralogy and Crystallography, University of Vienna, Althanstrasse14, A-1090 Wien (Austria)
Publication Date:
OSTI Identifier:
22012116
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: . 190; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BORON; BORON SILICIDES; CHROMIUM BORIDES; METALS; MICROSTRUCTURE; MONOCRYSTALS; NEUTRON DIFFRACTION; SOLID SOLUTIONS; SPACE GROUPS; TETRAGONAL LATTICES; VACANCIES; VOIDS; X RADIATION; X-RAY DIFFRACTION

Citation Formats

Khan, Atta U., Nunes, Carlos A., Coelho, Gilberto C., Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ, Suzuki, Paulo A., Grytsiv, Andriy, Bourree, Francoise, Giester, Gerald, and Rogl, Peter F., E-mail: peter.franz.rogl@univie.ac.at. Boron site preference in ternary Ta and Nb boron silicides. United States: N. p., 2012. Web. doi:10.1016/J.JSSC.2012.01.060.
Khan, Atta U., Nunes, Carlos A., Coelho, Gilberto C., Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ, Suzuki, Paulo A., Grytsiv, Andriy, Bourree, Francoise, Giester, Gerald, & Rogl, Peter F., E-mail: peter.franz.rogl@univie.ac.at. Boron site preference in ternary Ta and Nb boron silicides. United States. doi:10.1016/J.JSSC.2012.01.060.
Khan, Atta U., Nunes, Carlos A., Coelho, Gilberto C., Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ, Suzuki, Paulo A., Grytsiv, Andriy, Bourree, Francoise, Giester, Gerald, and Rogl, Peter F., E-mail: peter.franz.rogl@univie.ac.at. Fri . "Boron site preference in ternary Ta and Nb boron silicides". United States. doi:10.1016/J.JSSC.2012.01.060.
@article{osti_22012116,
title = {Boron site preference in ternary Ta and Nb boron silicides},
author = {Khan, Atta U. and Nunes, Carlos A. and Coelho, Gilberto C. and Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ and Suzuki, Paulo A. and Grytsiv, Andriy and Bourree, Francoise and Giester, Gerald and Rogl, Peter F., E-mail: peter.franz.rogl@univie.ac.at},
abstractNote = {X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type, B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.},
doi = {10.1016/J.JSSC.2012.01.060},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = . 190,
place = {United States},
year = {2012},
month = {6}
}