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Fractional Atomic Coordinates (×104) and Equivalent Isotropic Displacement Parameters (Å2 × 103) for Spodumene. Ueq is defined as 1/3 of the trace of the orthogonalized UIJ tensor.
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| Si1 | 4619.7(9) | 4066.4(5) | 2058.8(5) | 6.4(3) |
| Al1 | 2500 | 933.4(8) | 0 | 6.2(3) |
| O1 | 5308(2) | 4178.0(13) | 3901.6(13) | 7.6(3) |
| O3 | 4359(2) | 2331.2(14) | 1352.0(13) | 10.6(3) |
| O2 | 2022(2) | 5130.5(14) | 1434.8(12) | 10.3(3) |
| Li1 | 7500 | 2265(6) | 5000 | 17.0(9) |
