Table 2. Coordinate number (CN), number of constituent atoms in the CN, N(Y), N(Cd) N(Mg), atomic occupations in the atomic structures of the Y-Cd-Mg 1/1 cAP.
Sites indicated by * and † are common to vertices and edge centres of the RTH shell, respectively.
| Shell | Site | CN | CN(Y) | N(Y) | N(Cd) | N(Mg) | Y/Cd/Mg |
|---|---|---|---|---|---|---|---|
| Dodecahedron | M2 | 9.33 | 3 | 3 | 4.70 | 1.64 | 0/0.95/0.05 |
| M4* | 13.17 | 3 | 3 | 9.06 | 1.10 | 0/0.79/0.21 | |
| Icosahedron | Y1 | 16.33 | 0 | 0 | 13.31 | 3.03 | 1/0/0 |
| Icosidodecahedron | M3† | 11 | 3 | 3 | 5.79 | 2.21 | 0/0.90/0.10 |
| M6 | 8 | 2 | 2 | 3.48 | 2.52 | 0/0.13/0.87 | |
| RTH | M1 | 12 | 3 | 3 | 5.40 | 3.60 | 0/1/0 |
| M5 | 9 | 2 | 2 | 4.37 | 2.63 | 0/0.28/0.72 |