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Crystal Growth and Structure of the Barium Chloride Nitridotantalate(V) Ba 3 Cl 2 TaN 3
Author(s) -
Blaschkowski Björn,
Dürr Oliver,
Reckeweg Olaf,
Schleid Thomas
Publication year - 2015
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201500201
Subject(s) - barium , tantalate , crystallography , crystal structure , chloride , materials science , hexagonal crystal system , crystal (programming language) , chemistry , inorganic chemistry , metallurgy , dielectric , optoelectronics , computer science , programming language , ferroelectricity
Transparent, light yellow single crystals of the barium chloride nitridotantalate(V) Ba 3 Cl 2 TaN 3 (hexagonal, P 6 3 cm ; a = 1507.39(8) pm, c = 632.98(3) pm, c / a = 0.420; Z = 6) are obtained by the reaction of the barium azide chloride Ba(N 3 )Cl or its ternary decomposition products with the container wall of arc‐welded tantalum ampoules at 900 °C after four days. Its crystal structure displays one‐dimensional chains 1 ∞ {[TaN 2/2 N 2/1 ] 4– } consisting of corner‐sharing [TaN 4 ] 7– tetrahedra ( d (Ta–N) = 191–200 pm), which run along [001] and arrange as hexagonal rod packing. Charge compensation of these parallel 1 ∞ {[TaN 3 ] 4– } strands occurs via Ba 2+ cations and Cl – anions erecting a three‐dimensional network 3 ∞ {[Ba 3 Cl 2 ] 4+ } ( d (Ba–Cl) = 318–339 pm) with narrow channels apt to embed the chains. Several Ba–N contacts ranging between 264 and 319 pm secure the interconnection between both structural arrays and complete the coordination numbers of the Ba 2+ cations to seven or eight.