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Title: Single crystal structure and Raman spectrum of Ba{sub 3}Na{sub 2}(CN{sub 2}){sub 4}

The synthesis, single crystal structure determination, and Raman spectrum are reported for colorless transparent tribarium disodium tetracyanamide, Ba{sub 3}Na{sub 2}(CN{sub 2}){sub 4}. The title compound crystallizes in the space group C{sub 2h}{sup 5}-P2{sub 1}/c (14, a=6.2872(5)A, b=10.0002(8)A, c=17.7303(16)A, {beta}=110.454(4){sup o}, V=1044.48(15)A{sup 3}, Z=4, R/wR=0.0266/0.0543). Each sodium atom is surrounded by six nitrogen atoms in octahedral geometry. Sodium centered nitrogen octahedra are linked through face-sharing along the [100] direction to form one-dimensional (1D) chains. These chains are connected to each other through the carbon atoms of cyanamide and make a three-dimensional (3D) network with 1D channels along the [100] direction. Barium atoms and additional cyanamide anions reside in the channels. Each barium atom is irregularly coordinated with nitrogen and carbon from the cyanamide anions. The Raman spectrum shows symmetric vibrations of [N?C?N]{sup 2-} corresponding to {nu}{sub sym} (1241.5cm{sup -1}) and 2{delta} (1356.4cm{sup -1})
Authors:
 [1] ;  [2]
  1. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, NY 14853-1301 (United States)
  2. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, NY 14853-1301 (United States). E-mail: fjd3@cornell.edu
Publication Date:
OSTI Identifier:
20784998
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 179; Journal Issue: 5; Other Information: DOI: 10.1016/j.jssc.2006.01.048; PII: S0022-4596(06)00059-4; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BARIUM COMPOUNDS; CYANAMIDES; MONOCLINIC LATTICES; MONOCRYSTALS; RAMAN SPECTRA; SODIUM COMPOUNDS; SPACE GROUPS; SYNTHESIS