Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: K1.00296 : Neutron diffraction study of quasi-one-dimensional lithium purple bronze: possible mechanism for dimensional crossover
Author:
The crystallographic structure of quasi-1D lithium purple bronze
was investigated
using neutron powder diffraction at temperatures \textit{T} in
the range 5 K $< T < $
295 K. Lattice parameters, atomic positions, and occupation
numbers are reported. At
room temperature, it has a monoclinic symmetry with space group
\emph{P}2$_1$/\emph{m}, lattice parameters \textit{a} = 12.750(1)
\AA, \textit{b} =
5.524(1) \AA, \textit{c} = 9.491(2) \AA, and $\beta$ =
90.593(1)$^{\circ}$. The
stoichiometry was determined through chemical analysis
\textit{and} refinement of the
NPD data to be Li$_{0.924}$Mo$_6$O$_{17.6}$. The bond-valence-sum
method was
applied to calculate the valence of each Mo ion as a function of
\textit{T}, which allows
discussion of the mechanism by which charge is transferred
between the double 1D
conducting chains.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.K1.296
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