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. 2021 Jul 21;6(30):19822–19835. doi: 10.1021/acsomega.1c02528

Table 3. Coordination Number Distribution for Li and Be Atoms in the Simulated FLiBe Model with Two Different Cutoff Distances (CDs).

    coordination number (CN)
atoms CD (Å) crystal T0 T300 T450 T700 T730 T750 T850 T1000 T1500 T2000
Li 2.80 4.00 4.24 4.31 4.24 4.26 4.33 4.19 4.30 4.10 4.08 4.14
  3.40 4.00 4.46 4.67 4.66 4.85 4.91 4.86 4.87 4.96 4.90 5.12
Be 1.80 4.00 4.00 4.00 4.00 3.98 3.97 3.96 3.94 3.79 3.60 3.32
  2.40 4.00 4.00 4.00 4.00 3.99 3.99 3.99 3.99 3.90 3.75 3.58