Structural and Electronic Origin of the Three-dimensional Electrical Properties of P8 w12052 and its Inserted and Substituted Analogues Ax p8 w12052 (a = Li, Na) and P8W12-x Mox O52

Enric Canadell, Idris El Idrissi Rachidi, Enoch Wang, Martha Greenblatt, Myung hwan Whangbo

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Abstract

Single crystals of P8 W12 O52 and its inserted and substituted analogues Ax P8 W12 O52(A = Li, x = 0.16; A = Na, x = 0.22) and p8w12-xmox O52 (x= 0.28, 0.40, 0.68) were prepared, and their electrical resistivities and magnetic susceptibilities were measured. All of these bronzes are found to be isotropic metals. Our tight-binding band electronic structure calculations on P8 W12 O52 show that the three-dimensional metallic character originates from a three-dimensional linking of W06 octahedra in the lattice and the relatively high oxidation state of W. Examination of the structural relationship between P8 W12 O52 and CsP8 W8 O40 led to a new synthetic route for the preparation of CsP8 W8 O40 from P8 W12 O52. With use of this new method, Tl2 P8 W8 O40(isostructural with CsP8 W8 O40) was synthesized for the first time.

Original languageEnglish (US)
Pages (from-to)2455-2459
Number of pages5
JournalInorganic Chemistry
Volume28
Issue number12
DOIs
StatePublished - Jun 1 1989

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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