CuO, Cu K-edge, T = 300 K


Cite as: Timoshenko et al, Chem. Sci., 11 (2020) 3727

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Comparison of experimental data with RMC fit results

Residual = 0.15 (R-factor = 0.022 )

Contributions of the most important paths


Structure


""
Coord.shell Coord.number Mean R (Å) MSRD (Å-2)
Cu-O 4. 1.957 0.0102
Cu-O 2. 2.804 0.0123
Cu-Cu 4. 2.904 0.0077
Cu-Cu 6. 3.116 0.0172
Cu-O 2. 3.393 0.0059
Cu-Cu 2. 3.426 0.0087
Cu-O 2. 3.587 0.0079
Cu-Cu 2. 3.751 0.0166
Cu-O 2. 3.879 0.0108
Cu-O 2. 4.091 0.0102
Cu-O 4. 4.393 0.0156
Cu-O 4. 4.545 0.0093
Cu-Cu 6. 4.675 0.011
Cu-O 6. 4.789 0.011
Cu-O 4. 4.85 0.0097
Cu-Cu 6. 5.096 0.014
Cu-Cu 4. 5.243 0.0089
Cu-O 4. 5.323 0.009
Cu-O 2. 5.555 0.0074
Cu-Cu 8. 5.595 0.0145
Cu-O 2. 5.656 0.0141
Cu-Cu 12. 5.73 0.0142
Cu-O 4. 5.919 0.0092
Cu-Cu 4. 5.953 0.0117

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