CuO, Cu K-edge, T = 300 K
Cite as: Timoshenko et al, Chem. Sci., 11 (2020) 3727
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 |
