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. 2020 Oct 21;12(1):210–219. doi: 10.1039/d0sc04058d

Refined structural models from best-fitted EXAFS dataa,b,c.

Catalyst CNSXRD CNEXAFS R SXRD [Å] R EXAFS [Å] E not [eV]
Fe-ZSM-5 4.7(5) 5.3(6) 1.71(5) 1.79(3) 0.7
Zn-ZSM-5 4.8(2) 5.2(2) 2.11(2) 2.07(1) 3.4
Ag-ZSM-5 2.7(2) 2.7(3) 2.19(3) 2.33(3) 0.1
a

Estimated standard deviation (ESD) are presented in brackets; CN stands for coordination number; R represents derived atomic distance (see ESI).

b

The calculation of CNSXRD is based on averaging the total coordination number of each transition metal site multiple by their occupancy.

c

R SXRD is the occupancy weighted bond length of each M–O.