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LISICON (lithium zinc germanate) Li₁₄Zn(GeO₄)₄

Li⁺ conductor (γ-Li₃PO₄ framework) · space group Pnma (No. 62) · Z = 4

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Symmetry elements and Wyckoff positions (interactive)

LISICON (lithium zinc germanate) in Pnma

Setting
Loading 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)

Atomxyz
O0.08800.75000.1778
O0.41200.25000.6778
O0.58800.75000.3222
O0.91200.25000.8222
Li0.16530.99770.3297
Li0.33470.00230.8297
Li0.66530.50230.1703
Li0.83470.49770.6703
Li0.83470.00230.6703
Li0.66530.99770.1703
Li0.33470.49770.8297
Li0.16530.50230.3297
O0.33530.02450.2185
O0.16470.97550.7185
O0.83530.47550.2815
O0.66470.52450.7815
O0.66470.97550.7815
O0.83530.02450.2815
O0.16470.52450.7185
O0.33530.47550.2185
Li0.42600.75000.1630
Li0.07400.25000.6630
Li0.92600.75000.3370
Li0.57400.25000.8370
O0.06330.25000.2789
O0.43670.75000.7789
O0.56330.25000.2211
O0.93670.75000.7211
Li0.20600.25000.9780
Li0.29400.75000.4780
Li0.70600.25000.5220
Li0.79400.75000.0220
Ge0.41310.25000.3396
Ge0.08690.75000.8396
Ge0.91310.25000.1604
Ge0.58690.75000.6604

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

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