Table 1.
Structural parameters determined for a new intermetallic compound Sm2Au1.1Ge2.9
| Nominal composition | Sm2Au1Ge3 |
|---|---|
| Optimal composition | Sm2Au1.1Ge2.9 |
| Experimental composition | Sm2.05(2)Au1.29(2)Ge2.66(3) |
| Space group | P6/mmm (No. 191) |
| a (Å) | 4.2495(1) |
| c (Å) | 4.1300(1) |
| V (Å3) | 64.589(2) |
| Molar weight (g mol−3) | 728.04 |
| Density (g cm−3) | 9.198 |
| Measured density (g cm−3) | 9.17(6) |
| RE (1a) | x = y = z = 0; |
| Uiso = 0.0277(4) Å2 | |
| Au (2d) | x = 1/3 y = 2/3 z = 0.5; |
| Uiso = 0.0266(7) Å2 | |
| Occ. = 0.275 | |
| Ge (2d) | x = 1/3 y = 2/3 z = 0.5; |
| Uiso = 0.0266(7) Å2 | |
| Occ. = 0.725 | |
| Figures of merit: | |
| R (%) | 11.4 |
| wR (%) | 15.1 |
| GOF | 1.34 |