Abstract

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. R3c, a = 8.73382(4) A, c = 21.91438(17) A), the low temperature α-NVP undergoes a monoclinic distortion (S.G. C2/c, a = 15.1244(6) A, b = 8.7287(3) A, c = 21.6143(8) A, 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.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call