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

Table 2. Stable ZnCO3 structure (Phase II) between 78 GPa and 121 GPa.

Lattice parameters      
  a (Å) = 9.27; b (Å) = 7.08; c (Å) = 8.17  
  β(°) = 104.83;      
  V (Å3) = 519.13    
Atomic coordinates (space group C 2/m)  
  Atom X Y Z
  Zn1 0.53 0.00 0.19
  Zn2 0.50 0.27 0.50
  Zn3 0.34 0.50 0.14
  C1 0.86 0.83 0.79
  C2 0.74 0.00 0.53
  O1 0.85 0.00 0.45
  O2 0.85 0.00 0.88
  O3 0.60 0.00 0.43
  O4 0.74 0.84 0.64
  O5 0.83 0.68 0.88
  O6 0.99 0.80 0.76
Bond length (Å):      
  Zn1--O1 = 2.05; Zn1--O2 = 2.04; Zn1--O5 = 2.22; Zn1--O6 = 2.22
  Zn2--O1 = 2.16; Zn2--O3 = 2.07; Zn2--O4 = 2.10; Zn2--O6 = 2.04
  Zn3--O2 = 2.10; Zn3--O6 = 2.05  
  C1--O2 = 1.34; C1--O3 = 1.41; C1--O5 = 1.43; C1--O6 = 1.39
  C2--O4 = 1.31      
Third-order Birch–Murnaghan equation of state (fitted between 0 and 150 GPa)
  B0(GPa) = 180.8(±1.6)    
  B′0 = 3.94 (±0.05)    
  V03) = 488.61 (±0.29)