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Table 1 Possible combinations for Mo/V mixed cation sites, V content from the model structure, and input for the multi-slice simulations

From: Multi-slice frozen phonon simulations of high-angle annular dark field scanning transmission electron microscopy images of the structurally and compositionally complex Mo–V–Nb–Te oxide catalyst

Cation site Combinations V concentration (%)
Model structure [4] Image simulation
S1 14307150 30.1 30
S2 119759850 57.9 56.\(\bar{6}\)
S3 86493225 42.7 40
S4 593775 19.6 20
S5 30 4.6 3.\(\bar{3}\)
S6 4060 11.7 10
S7 2035800 24.0 23.\(\bar{3}\)
S8, S10 1 0 0
S11 435 5.2 6.\(\bar{6}\)