Low-Temperature Structure of the Quarter-Filled Ladder Compound .ALPHA.'-NaV2O5.

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  • Sawa Hiroshi
    Graduate School of Science and Technology, Chiba University, Chiba 263-8522
  • Ninomiya Emi
    Graduate School of Science and Technology, Chiba University, Chiba 263-8522
  • Ohama Tetsuo
    Faculty of Science, Chiba University, Chiba 263-8522
  • Nakao Hironori
    Photon Factory, Institute of Materials Structure Science, KEK, Tsukuba 305-0801
  • Ohwada Kenji
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577
  • Murakami Youichi
    Photon Factory, Institute of Materials Structure Science, KEK, Tsukuba 305-0801
  • Fujii Yasuhiko
    Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581
  • Noda Yukio
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577
  • Isobe Masahiko
    Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581
  • Ueda Yutaka
    Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581

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  • Low-Temperature Structure of the Quarter-Filled Ladder Compound α'-NaV<sub>2</sub>O<sub>5</sub>

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The low-temperature (LT) superstructure of α'-NaV2O5 was determined by synchrotron radiation X-ray diffraction. Below the phase transition temperature associated with atomic displacement and charge ordering at 34 K, we observed Bragg peak splittings, which provide evidence that the LT structure is monoclinic. It was determined that the LT structure is (a-b)× 2b × 4c with the space group A112, where a, b and c represent the high-temperature orthorhombic unit cell. The valence estimation of V ions according to the bond valence sum method shows that the V sites are clearly separated into two groups of V4+ and V5+ with a zigzag charge-ordering pattern. This LT structure is consistent with resonant X-ray and NMR measurements, and is in striking contrast to the LT structure previously reported, which includes V4.5+ sites.

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