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Discovery of a Sodium-Ordered Form of Na3V2(PO4)3 below Ambient Temperature

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Figshare2016-02-15 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Discovery_of_a_Sodium_Ordered_Form_of_Na_sub_3_sub_V_sub_2_sub_PO_sub_4_sub_sub_3_sub_below_Ambient_Temperature/2199940
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The crystal structure of the NASICON Na3V2(PO4)3 phase (NVP) has been investigated as a function of temperature. Combining laboratory and synchrotron X-ray powder diffraction with single crystal X-ray diffraction, we demonstrate the presence of four polymorphs of NVP from 30 to 225 °C. While the high temperature γ-NVP crystallizes in the classical rhombohedral cell (S.G. R3̅c, a = 8.73382(4) Å, c = 21.91438(17) Å), the low temperature α-NVP undergoes a monoclinic distortion (S.G. C2/c, a = 15.1244(6) Å, b = 8.7287(3) Å, c = 21.6143(8) Å, β = 90.163(2)°) together with an ordering of the Na atoms. In the middle temperature range, two incommensurate modulated structures (β- and β′-NVP) are also reported for the first time.
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2016-02-15
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