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LISICON (lithium zinc germanate) Li₁₄Zn(GeO₄)₄
Li⁺ conductor (γ-Li₃PO₄ framework) · space group Pnma (No. 62) · Z = 4
Symmetry elements and Wyckoff positions (interactive)
LISICON (lithium zinc germanate) in Pnma
SettingLoading the group…
x = 0.10, y = 0.17, z = 0.08
Unit cell
- Lattice constants
- a = 10.828 Å, b = 6.251 Å, c = 5.140 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 347.9 ų
- Atoms in the cell
- 36 (O 16, Li 16, Ge 4)
- Formula units Z
- 4
- Calculated density
- 1.75 g cm⁻³
- Shortest contact
- 1.737 Å
Coordination
- O
- CN 4 at 1.74 Å (1 Ge + 3 Li)
- Li
- CN 4 at 1.93 Å (4.25 O)
- Ge
- CN 4 at 1.74 Å (4 O)
About the structure
- Isolated GeO₄ tetrahedra in a γ-Li₃PO₄-type framework with Li⁺ and Zn²⁺ spread over several tetrahedral and interstitial sites — the extra Li beyond Li₃PO₄ stoichiometry is what moves.
- The original "LIthium Super-Ionic CONductor" (1978); its name was carried over to the whole family and to the thio-LISICONs of today's solid-state batteries. The Zn sites are only 2–14 % occupied in the refinement and the lowest Li site 16 %, so they are left out of the drawing; the formula names the real composition.
- Coordinates from the Crystallography Open Database, entry 1524557 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out. Some sites are partially occupied in the real crystal.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| O | 0.0880 | 0.7500 | 0.1778 |
| O | 0.4120 | 0.2500 | 0.6778 |
| O | 0.5880 | 0.7500 | 0.3222 |
| O | 0.9120 | 0.2500 | 0.8222 |
| Li | 0.1653 | 0.9977 | 0.3297 |
| Li | 0.3347 | 0.0023 | 0.8297 |
| Li | 0.6653 | 0.5023 | 0.1703 |
| Li | 0.8347 | 0.4977 | 0.6703 |
| Li | 0.8347 | 0.0023 | 0.6703 |
| Li | 0.6653 | 0.9977 | 0.1703 |
| Li | 0.3347 | 0.4977 | 0.8297 |
| Li | 0.1653 | 0.5023 | 0.3297 |
| O | 0.3353 | 0.0245 | 0.2185 |
| O | 0.1647 | 0.9755 | 0.7185 |
| O | 0.8353 | 0.4755 | 0.2815 |
| O | 0.6647 | 0.5245 | 0.7815 |
| O | 0.6647 | 0.9755 | 0.7815 |
| O | 0.8353 | 0.0245 | 0.2815 |
| O | 0.1647 | 0.5245 | 0.7185 |
| O | 0.3353 | 0.4755 | 0.2185 |
| Li | 0.4260 | 0.7500 | 0.1630 |
| Li | 0.0740 | 0.2500 | 0.6630 |
| Li | 0.9260 | 0.7500 | 0.3370 |
| Li | 0.5740 | 0.2500 | 0.8370 |
| O | 0.0633 | 0.2500 | 0.2789 |
| O | 0.4367 | 0.7500 | 0.7789 |
| O | 0.5633 | 0.2500 | 0.2211 |
| O | 0.9367 | 0.7500 | 0.7211 |
| Li | 0.2060 | 0.2500 | 0.9780 |
| Li | 0.2940 | 0.7500 | 0.4780 |
| Li | 0.7060 | 0.2500 | 0.5220 |
| Li | 0.7940 | 0.7500 | 0.0220 |
| Ge | 0.4131 | 0.2500 | 0.3396 |
| Ge | 0.0869 | 0.7500 | 0.8396 |
| Ge | 0.9131 | 0.2500 | 0.1604 |
| Ge | 0.5869 | 0.7500 | 0.6604 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
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Open LISICON (lithium zinc germanate) in the 3D viewer → · All structures