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About 2 g of each sample was loaded in a hermetically sealed vanadium can in an Ar filled glovebox. Neutron diffraction experiments were carried out on the high-resolution diffractometer D2B at the Institut Laue-Langevin, France, at a wavelength, λ = 1.5940 Å. Data were collected over the range 2θ = 10-160°, using a step size of 0.05°.
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14
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0012422504
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note
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7Li (77.789 MHz). A single pulse sequence was used, with a 2.5 μs (90°) pulse length and a repetition time of 2 s. The spinning speeds were varied from 6 to 11.5 kHz to identify the isotropic chemical shifts.
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15
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0012386227
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Morgan, D.; Ceder, G.; Saidi, Y.; Barker, J.; Adamson, G. Abstract 349, 11th IMLB, Monterey, CA, June 2002; J. Power Sources, in press.
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J Power Sources
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17
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0012386228
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note
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3. The Li positions were located by Fourier difference mapping, and the refinement was completed with these sites included.
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18
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33751155604
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Bond sum calculations for Li(1), 1.043; Li(2), 1.018; Li(3), 0.915, see: Brown, I. D. Chem. Soc. Rev. 1978, 7, 359.
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0012469533
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note
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These two are essentially pseudosymmetry sites because the lattice is very close to orthorhombic. Attempts to refine the cell in an orthorhombic space group such as Pbna resulted in higher convergence values.
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24
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0012457662
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Eyob, P.; Andersson, A. S.; Thomas, J. O. J. Mater. Chem. 2002, 12, 1.
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