Boron site preference in ternary Ta and Nb boron silicides
- Institute of Physical Chemistry, University of Vienna, Waehringerstrasse 42, A-1090 Wien (Austria)
- 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)
- Laboratoire L. Brillouin, CEA/Saclay, F-91191 Gif sur Yvette (France)
- Institute of Mineralogy and Crystallography, University of Vienna, Althanstrasse14, A-1090 Wien (Austria)
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.
- OSTI ID:
- 22012116
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. . 190; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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