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Discovery of a Sodium-Ordered Form of Na3V2(PO4)3 below Ambient Temperature
Chemistry of Materials ( IF 7.2 ) Pub Date : 2015-08-25 00:00:00 , DOI: 10.1021/acs.chemmater.5b02092
Jean-Noël Chotard 1, 2 , Gwenaëlle Rousse 2, 3, 4 , Rénald David 1, 2 , Olivier Mentré 5 , Matthieu Courty 1, 2 , Christian Masquelier 1, 2
Chemistry of Materials ( IF 7.2 ) Pub Date : 2015-08-25 00:00:00 , DOI: 10.1021/acs.chemmater.5b02092
Jean-Noël Chotard 1, 2 , Gwenaëlle Rousse 2, 3, 4 , Rénald David 1, 2 , Olivier Mentré 5 , Matthieu Courty 1, 2 , Christian Masquelier 1, 2
Affiliation
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.
中文翻译:
在环境温度以下发现Na 3 V 2(PO 4)3的钠有序形式
已经研究了NASICON Na 3 V 2(PO 4)3相(NVP)的晶体结构与温度的关系。将实验室和同步加速器X射线粉末衍射与单晶X射线衍射相结合,我们证明了从30到225°C存在NVP的四个多晶型物。而高温γ-NVP结晶在经典的菱形单元(SG - [R 3 Ç,一个= 8.73382(4),C ^ = 21.91438(17)),低温α-NVP经历单斜失真(SG Ç 2 / c,a = 15.1244(6)Å,b = 8.7287(3)Å,c = 21.6143(8)Å,β= 90.163(2)°)以及Na原子的顺序。在中等温度范围内,也首次报道了两个不相称的调制结构(β-和β'-NVP)。
更新日期:2015-08-25
中文翻译:
在环境温度以下发现Na 3 V 2(PO 4)3的钠有序形式
已经研究了NASICON Na 3 V 2(PO 4)3相(NVP)的晶体结构与温度的关系。将实验室和同步加速器X射线粉末衍射与单晶X射线衍射相结合,我们证明了从30到225°C存在NVP的四个多晶型物。而高温γ-NVP结晶在经典的菱形单元(SG - [R 3 Ç,一个= 8.73382(4),C ^ = 21.91438(17)),低温α-NVP经历单斜失真(SG Ç 2 / c,a = 15.1244(6)Å,b = 8.7287(3)Å,c = 21.6143(8)Å,β= 90.163(2)°)以及Na原子的顺序。在中等温度范围内,也首次报道了两个不相称的调制结构(β-和β'-NVP)。