The Disordered Crystal Structures of Zn(CN)2and Ga(CN)3

D. J. Williams, D. E. Partin, F. J. Lincoln, John Kouvetakis, M. O'Keeffe

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86 Scopus citations


The structure of Zn(CN)2has been reexamined using neutron time-of-flight diffraction and has been determined to have symmetryPn3m,a=5.9227 (1) Å at 14 K and 5.8917 (1) Å at 305 K (negative thermal "expansion"). The CN groups are disordered in contrast to the ordered arrangement with symmetryP43massumed in earlier X-ray diffraction experiments. Zn is tetrahedrally surrounded with average Zn-(C, N)=1.9697(3) and C-N=1.1897(1) Å. Ga(CN)3has been examined for the first time. X-ray powder diffraction shows it to have a cubic Prussian blue framework structure, symmetryPm3m,a=5.295(2) Å, also with CN disorder. Ga is octahedrally surrounded with average Ga-(C, N) distance=2.072(2) Å and C-N=1.148(1) Å.

Original languageEnglish (US)
Pages (from-to)164-169
Number of pages6
JournalJournal of Solid State Chemistry
Issue number1
StatePublished - Nov 15 1997

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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