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Synthesis and Crystal Structure of the New Quaternary Subnitride Na 15 Li 8 Ba 12 N 6
Author(s) -
Smetana Volodymyr,
Babizhetskyy Volodymyr,
Vajenine Grigori V.,
Simon Arndt
Publication year - 2007
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.200700192
Subject(s) - crystallography , tetrahedron , crystal structure , trigonal crystal system , bar (unit) , type (biology) , chemistry , group (periodic table) , space group , x ray crystallography , diffraction , materials science , physics , geology , paleontology , organic chemistry , meteorology , optics
The crystal structure of the new compound Na 15 Li 8 Ba 12 N 6 has been determined from single‐crystal X‐ray diffraction data. It crystallizes in the trigonal system, space group $R{\bar 3}m$ with a = 12.3409(9) Å, c = 33.311(4) Å, Z = 3, and R 1 = 0.037 ( wR 2 = 0.046) for 1912 reflections with I o >2σ( I o ). The structure can be described as an fcc‐type packing of Na tetrahedrons with Li 8 Ba 12 N 6 clusters and centered Na hexagons in chair conformation among them. These hexagons together with some tetrahedral vertices connect to parallel infinite layers. By analogy with quaternary Na/Ba/Ca subnitrides this structure can be also regarded as a “salt in metal”.