Single-Crystal X-Ray Diffraction Study of Na[OCN] at 170 K and its Vibrational Spectra
2010 ◽
Vol 65
(4)
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pp. 528-532
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Keyword(s):
X Ray
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The unit cell of Na[OCN] has been determined on single crystals at 170 K to have rhombohedral symmetry with the lattice parameters a = 356.79(10) and c = 1512.3(5) pm (hexagonal setting). According to the only model for which a converging refinement could be achieved, Na[OCN] crystallizes isopointal to β -NaN3 in the space group R¯3m (no. 166, Z = 3) with a statistically disordered [OCN]− anion. The positional coordinates and displacement parameters could not be separated for the O and N end atoms of the triatomic anion. The vibrational spectra show the frequencies typical for an [OCN]− moiety with Fermi resonance between the 2δ and the νsym vibrations for which the undisturbed frequencies were calculated.
1995 ◽
Vol 50
(4)
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pp. 699-701
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Keyword(s):
1996 ◽
Vol 51
(6)
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pp. 806-810
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Keyword(s):
Keyword(s):