Review Article

Alkali Cation Potential and Functionality in the Nanoporous Prussian Blue Analogues

Table 2

Structural parameters used in the ab initio total energy calculation of ACo[Fe(CN)6] (A = Li, Na, K, Cs, and Rb). The lattice constants are a = b = 0.66072 nm and c = 0.93440 nm.

AtomSite

Fe2a1000
Co2a1001/2
C8e10.319950.680051/2
C2a1000.82461
C2a1000.17539
N8e10.204640.795361/2
N2a1000.70464
N2a1000.29536
A2b11/20