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. 2014 Jun 4;4:5172. doi: 10.1038/srep05172

Table 3. Stable ZnCO3 structure (Phase III) above 121 GPa.

Lattice parameters      
  a (Å) = 8.67; b (Å) = 3.62; c (Å) = 5.63  
  α(°) = 90.00; β(°) = 90.00; γ(°) = 90.00  
  V (Å3) = 176.7    
Atomic coordinates (space group P212121)  
  Atom X Y Z
  Zn 0.15 0.66 0.19
  C 0.03 0.54 0.61
  O1 0.05 0.17 0.08
  O2 0.34 0.60 0.02
  O3 0.07 0.80 0.78
Bond length (Å):      
  Zn--O1 = 1.9; Zn--O2 = 2.03; Zn--O3 = 2.12
  C--O1 = 1.35; C--O2 = 1.39; C--O3 = 1.42  
Third-order Birch–Murnaghan equation of state (fitted between 0 and 150 GPa)
  B0 (GPa) = 119.15 (±3.2)    
  B′0 = 4.36 (±0.07)    
  V03) = 170.92 (±0.33)