STRUCTURE OF THE INTERCALATE NA1.5WO2CL2 BY POWDER NEUTRON-DIFFRACTION

J L NOWINSKI, I ABRAHAMS, V C GIBSON, K TAVAKKOLI, P G BRUCE

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The crystal structure of the intercalation compound Na1.5WO2Cl2 has been refined using powder neutron diffraction. Refinement was carried out in the tetragonal space group, I4/mmm, with a = 3.8809(4) angstrom, c = 15.102(2) angstrom, V = 227.46(7) angstrom3, Z = 2. The final R factors are R(wp) = 4.84%, R(ex) = 2.43%, chi2 = 4.00 for 20 basic variables with 2699 observations corresponding to 54 reflections. The structure, which is closely related to that of the unintercalated host WO2Cl2, consists of layers of tungsten oxide sandwiched between chloride ions to form trilayer blocks of general formula [ClWO2Cl]n. These blocks stack in the c direction to generate the three-dimensional structure, which is stabilised by van der Waals interactions. Na+ ions are located outside the van der Waals gap within the trilayer blocks and are coordinated to four chlorine and four oxygen atoms in a square antiprismatic coordination.

Original languageEnglish
Pages (from-to)39-41
Number of pages3
JournalJournal of Materials Chemistry
Volume3
Issue number1
Publication statusPublished - Jan 1993

Keywords

  • SODIUM
  • INTERCALATION
  • POWDER DIFFRACTION
  • NEUTRON DIFFRACTION
  • CRYSTAL STRUCTURE

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