Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5)

Olaf Reckeweg; Armin Schulz; Francis J. DiSalvo

doi:10.5560/znb.2013-2292

Publicly Available Published by De Gruyter June 2, 2014

Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa₈[CN₂]₆O₂(N_0.5H_0.5)

Olaf Reckeweg , Armin Schulz and Francis J. DiSalvo

From the journal Zeitschrift für Naturforschung B

https://doi.org/10.5560/znb.2013-2292

Abstract

Colorless, transparent single crystals of CaBa₈[CN₂]₆O₂(N_0.5H_0.5) (R3̄ (no. 148), a = 996.94(4) and c = 1803.18(8) pm, Z = 3) were obtained by the reaction of Ca₃N₂, Ba₂N and NaHCN₂ (of which one of the latter two most likely was contaminated with some oxygen impurity) in arcwelded Nb ampoules at 1200 K. The title compound consists of distorted (H/N)Ba₆ octahedra which share two of their opposite faces with OBa₄ tetrahedra interconnected by [N=C=N]^2- units of Ca(N=C=N)⁶ octahedra with C=N bond lengths of 121.9(6) and 124.3(6) pm and with a bond angle deviating from linearity with (N-C-N) = 175:9(5)°. A Raman spectrum obtained from the crystal used for the structure determination indicates the presence of the [N=C=N]^2- unit.

Graphical Abstract

Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5)

Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa₈[CN₂]₆O₂(N_0.5H_0.5)

Keywords: Barium; Calcium; Carbodiimide; Cyanamide; Hydride; Nitride; Oxide; Raman Spectroscopy

Received: 2012-10-23

Published Online: 2014-06-02

Published in Print: 2013-01-01

Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa₈[CN₂]₆O₂(N_0.5H_0.5)

Abstract

Graphical Abstract

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