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A New Oxynitride Compound of Molybdenum, Na 3 MoO 3 N — Synthesis via the Azide Route and Structure
Author(s) -
Arumugam Nachiappan,
Hönnerscheid Andreas,
Jansen Martin
Publication year - 2003
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.200200452
Subject(s) - acentric factor , orthorhombic crystal system , crystallography , crystal structure , chemistry , molybdenum , isostructural , azide , inorganic chemistry , organic chemistry
The new oxynitride compound of molybdenum, Na 3 MoO 3 N was prepared via the azide route. Its crystal structure was solved and refined from X‐ray powder data (orthorhombic, Pmn 2 1 , a = 724.63(1), b = 624.98(1), c = 563.86(1) pm, R p : 9.04 %; R wp : 9.83 %). The structure consists of isolated [MoO 3 N] 3— tetra‐hedra which are separated by Na + cations, also in a tetrahedral coordination. It is isostructural to Na 3 WO 3 N which is a lower symmetry derivative of the Cu 3 AsS 4 structure. Due to the small difference in the scattering lengths of nitrogen and oxygen, we were unable to distinguish between fully ordered, fully disordered, or partially ordered anions. However, from the positive SHG responses, we can deduce the acentric space group being the correct one and based on the lattice energy calculations, we have been able to identify the position most probably being occupied by nitrogen.