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. 2020 Jul 27;7(11):1768–1775. doi: 10.1093/nsr/nwaa174

Table 1.

Lattice constants a and c (Å), volume V (Å3), buckling (Å), F-C-C bond-angle in CF and F-B-C bond-angle in B-alloying system (°), d1 (Å) and d2 (Å) in the Li(Na)BCF2/Li(Na)B2C2F2 cathodes. The data for CF are also given for comparison.

BCF2 LiBCF2 NaBCF2 B2C2F2 LiB2C2F2 NaB2C2F2 CF
a = b 2.713 2.802 2.856 2.696 2.720 2.752 2.599
c 11.630 11.479 12.451 15.895 15.759 16.798 11.403
V 74.113 78.072 87.935 100.042 100.944 110.188 66.701
Buckling 0.665 0.338 0.338 0.728 0.532 0.528 0.488
Bond-angle 113.01 101.81 101.58 115.07 108.72 108.37 108.03
d1 3.364 3.539 3.527 5.502 5.627 5.615 3.249
d2 2.451 2.201 2.699 2.445 2.252 2.784 2.452