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“114”‐Type Nitrides LnAl(Si 4− x Al x )N 7 O δ with Unusual [AlN 6 ] Octahedral Coordination
Author(s) -
Huang Saifang,
Huang Zhaohui,
Cao Peng,
Zujovic Zoran,
Price Jason R.,
Avdeev Maxim,
Que Meidan,
Suzuki Furitsu,
Kido Tsuyoshi,
Ouyang Xin,
Kaji Hironori,
Fang Minghao,
Liu Yangai,
Gao Wei,
Söhnel Tilo
Publication year - 2017
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201612488
Subject(s) - nitride , crystallography , octahedron , stoichiometry , neutron diffraction , crystal structure , materials science , x ray crystallography , type (biology) , coordination number , tetrahedron , diffraction , chemistry , ion , nanotechnology , physics , organic chemistry , layer (electronics) , ecology , optics , biology
Aluminum–nitrogen six‐fold octahedral coordination, [AlN 6 ], is unusual and has only been seen in the high‐pressure rocksalt‐type aluminum nitride or some complex compounds. Herein we report novel nitrides LnAl(Si 4− x Al x )N 7 O δ (Ln=La, Sm), the first inorganic compounds with [AlN 6 ] coordination prepared via non‐high‐pressure synthesis. Structure refinements of neutron powder diffraction and single‐crystal X‐ray diffraction data show that these compounds crystallize in the hexagonal Swedenborgite structure type with P 6 3 mc symmetry where Ln and Al atoms locate in anticuboctahedral and octahedral interstitials, respectively, between the triangular and Kagomé layers of [SiN 4 ] tetrahedra. Solid‐state NMR data of high‐purity La‐114 powders confirm the unusual [AlN 6 ] coordination. These compounds are the first examples of the “33‐114” sub‐type in the “114” family. The additional site for over‐stoichiometric oxygen in the structure of 114‐type compounds was also identified.