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000202457 0247_ $$2doi$$a10.1103/PhysRevB.91.174113
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000202457 0247_ $$2ISSN$$a1098-0121
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000202457 1001_ $$0P:(DE-HGF)0$$aGrzechnik, A.$$b0$$eCorresponding Author
000202457 245__ $$aStructural stability of the Wadsley-type bronzes β − Ag $_{0.33}$ V $_{2}$ O $_{5}$ and β − Li $_{0.33}$ V $_{2}$ O $_{5}$ on compression: A breakdown of the two-leg ladder system in the nonsuperconducting high-pressure phase of β − Li $_{0.33}$ V $_{2}$ O $_{5}$
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000202457 520__ $$aStructural stabilities of the Wadsley-type bronzes β−Ag0.33V2O5 and β−Li0.33V2O5 (both C2/m, Z = 6) have been studied with single-crystal x-ray diffraction in diamond anvil cells at room temperature to 8 and 13 GPa, respectively. β−Ag0.33V2O5 is stable at least to 8 GPa. β−Li0.33V2O5 undergoes two phase transitions at about 9 and 11 GPa due to relative displacements of the adjacent octahedral vanadate layers. In the intermediate phase between 9 and 11 GPa, very strong one-dimensional diffuse scattering is observed, indicating the presence of stacking faults. The structural refinements (C2/m, Z = 6) of the data above 11 GPa reveal that the layers of VO6 octahedra remain essentially intact. However, the relative position of the chains of edge-sharing VO5 tetragonal pyramids with respect to the octahedral layers is changed. As a result, the tunnels populated by the Li1+ cations collapse on compression. The distribution of the Li1+ cations in the vanadate framework is fully ordered in the polymorph above 11 GPa. The present structural data could be used to better understand the pressure-induced superconductivity in all the Wadsley-type bronzes β−A0.33V2O5 (A = Li, Na, Ag).
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000202457 7001_ $$0P:(DE-HGF)0$$aHanfland, M.$$b3
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