CuO, Cu K-edge, T = 150 K


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

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Comparison of experimental data with RMC fit results

Residual = 0.156 (R-factor = 0.024 )

Contributions of the most important paths


Structure


""
Coord.shell Coord.number Mean R (Å) MSRD (Å-2)
Cu-O 4. 1.958 0.0092
Cu-O 2. 2.8 0.0139
Cu-Cu 4. 2.904 0.0062
Cu-Cu 6. 3.116 0.0195
Cu-O 2. 3.398 0.0049
Cu-Cu 2. 3.426 0.0056
Cu-O 2. 3.586 0.0094
Cu-Cu 2. 3.751 0.0144
Cu-O 2. 3.878 0.0113
Cu-O 2. 4.093 0.0085
Cu-O 4. 4.391 0.0148
Cu-O 4. 4.546 0.0082
Cu-Cu 6. 4.675 0.0094
Cu-O 6. 4.791 0.0107
Cu-O 4. 4.853 0.0102
Cu-Cu 6. 5.095 0.0131
Cu-Cu 4. 5.242 0.0084
Cu-O 4. 5.32 0.0093
Cu-O 2. 5.551 0.0071
Cu-Cu 8. 5.595 0.0142
Cu-O 2. 5.655 0.0112
Cu-Cu 12. 5.73 0.0129
Cu-O 4. 5.917 0.009
Cu-Cu 4. 5.954 0.0081

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