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A Temperature‐dependent Structural Study of anti ‐ReO 3 ‐type Na 3 N: to Distort or not to Distort?
Author(s) -
Vajenine Grigori V.,
Hoch Constantin,
Dinnebier Robert E.,
Senyshyn Anatoliy,
Niewa Rainer
Publication year - 2010
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.200900488
Subject(s) - microcrystalline , octahedron , atmospheric temperature range , crystallography , distortion (music) , type (biology) , displacement (psychology) , thermal decomposition , neutron diffraction , materials science , anisotropy , chemistry , diffraction , single crystal , nitride , crystal structure , nanotechnology , thermodynamics , optics , physics , layer (electronics) , organic chemistry , psychology , amplifier , ecology , optoelectronics , cmos , biology , psychotherapist
The rather open anti ‐ReO 3 ‐type crystal structure for sodium nitride is completely preserved in the temperature range between 20 K and its decomposition temperature at around 393 K according to temperature‐dependent X‐ray and neutron diffraction data collected on single crystals and microcrystalline powder of Na 3 N. Strong anisotropy of thermal displacement parameters even at low temperatures is attributed to purely dynamic effects. The tendency of ReO 3 ‐type and anti ‐ReO 3 ‐type compounds towards an octahedron‐tilting distortion is compared theoretically by using cubic AlF 3 and Li 3 N model compounds.