Table 2. Interchain Correlations in Different Periodic Structural Models Defined by the Metal–Metal Relationships within the Metal Layers in (Cu1/3Ag1/3Au1/3)CN for Cu, Ag, and Au Atomsa.
nearest-metal
neighbors (r ∼ 3.4 Å) |
next-nearest-metal
neighbors (r ∼ 5.8 Å) |
next-next-nearest-metal
neighbors (r ∼ 6.8 Å) |
|||||
---|---|---|---|---|---|---|---|
structural model | space group | hetero- | homo- | hetero- | homo- | hetero- | homo- |
K | P6mm{1}b | 0 | 6 Cu···Cu | 0 | 6 Cu···Cu | 0 | 6 Cu···Cu |
6 Ag···Ag | 6 Ag···Ag | 6 Ag···Ag | |||||
6 Au···Au | 6 Au···Au | 6 Au···Au | |||||
L | R3m{3} | 6 Cu···Ag | 0 | 0 | 6 Cu···Cu | 6 Cu···Ag | 0 |
6 Cu···Au | 6 Ag···Ag | 6 Cu···Au | |||||
6 Ag···Au | 6 Au···Au | 6 Ag···Au | |||||
M | Pmm2{2}, Cu–Au layers and Ag-only layers | 8 Cu···Au | 6 Ag···Ag | 8 Cu···Au | 6 Ag···Ag | 0 | 6 Cu···Cu |
2 Cu···Cu | 2 Cu···Cu | 6 Ag···Ag | |||||
2 Au···Au | 2 Au···Au | 6 Au···Au | |||||
N | Pmm2{2}, Ag–Au layers and Cu-only layers | 8 Ag···Au | 6 Cu···Cu | 8 Ag···Au | 6 Cu···Cu | 0 | 6 Cu···Cu |
2 Ag···Ag | 2 Ag···Ag | 6 Ag···Ag | |||||
2 Au···Au | 2 Au···Au | 6 Au···Au |
See section S.6 for details of models.
{n} denotes the number of (Cu1/3Ag1/3Au1/3)CN units in the unit cell.