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. 2015 Jun 29;6:7555. doi: 10.1038/ncomms8555

Table 2. Crystal lattice.

  0 GPa 2 GPa 4 GPa 8 GPa 16 GPa
bt8-Si
a=b (Å) 6.676 6.632 6.592 6.522 6.405
c (Å) 6.522 6.447 6.381 6.267 6.079
st12-Si
a=b (Å) 5.678 5.640 5.605 5.540 5.420
c (Å) 6.825 6.734 6.649 6.503 6.277
P-421c-32 (t32-Si)
a=b (Å) 9.409 9.335 9.269 9.153 8.959
c (Å) 6.646 6.597 6.553 6.473 6.340
P43212-32 (t32*-Si)
a=b (Å) 9.403 9.330 9.264 9.148 8.956
c (Å) 6.655 6.607 6.562 6.483 6.349

DFT, density functional theory.

Lattice parameters of the tetragonal bt8-Si, st12-Si and two tetragonal structures with 32 atoms at various pressures calculated with DFT.