Figure 8: Refined crystal structure of Na3.1Zr1.95Mg0.05Si2PO12.
From: A Na+ Superionic Conductor for Room-Temperature Sodium Batteries
(a) Polyhedral drawing of the unit cell of Na3.1Zr1.95Mg0.05Si2PO12. Na(1) ions: black spheres, Na(2) ions: yellow spheres, Na(3) ions: purple spheres. (b) A bottleneck of Na3.1Zr1.95Mg0.05Si2PO12 consisting of alternating three ZrO6 octahedra and three P/SiO4 tetrahedra. The triangle T1 is outlined. The Na(1), Na(2) and Na(3) ions are located below and above the bottleneck. (c) Lattice parameter, volume of unit cell and area of T1 of the Na3Zr2Si2PO1214,36 and Na3.1Zr1.95M0.05Si2PO12 (M = Mg, Ca, Sr, Ba).
