Table 1 SC-XRD refinement and EDX results of GdAu6.75−xAl0.5+x.
From: 2D crystal structure and anisotropic magnetism of GdAu6.75−xAl0.5+x (x ≈ 0.54)
Parameters | GdAu6.75−xAl0.5+x |
|---|---|
Empirical formula | Gd2Au12.43(2)Al2.07(2) |
Refined composition (at.%) | Gd12.12Au75.3(1)Al12.5(1) |
EDX (at.%) | Gd12.4(4)Au75.0(4)Al12.6(5) |
Formula weight | 2819.2 |
Temperature/K | 293 |
Crystal system | orthorhombic |
Space group | Pnma |
a/Å | 18.7847 (4) |
b/Å | 23.8208 (5) |
c/Å | 5.30100 (10) |
Volume/Å3 | 2372.02 (8) |
Z | 8 |
ρcalc g/cm3 | 15.7885 |
μ/mm−1 | 89.408 |
F(000) | 9096.0 |
Crystal size/mm3 | 0.138 × 0.097 × 0.045 |
Radiation | Ag Kα (λ = 0.56087) |
2Θ range, data collection/° | 2.7 to 49.86 |
Index ranges | − 28 ≤ h ≤ 28, − 35 ≤ k ≤ 35, − 7 ≤ l ≤ 7 |
Reflections collected | 191,508 |
Ind. reflections [all data] | 4287 |
Ind. reflections [I > = 3σ (I)] | 3225 |
Merging R indices | Rint = 0.0663, Rsigma = 0.0158 |
Constraint/restraint/parameter | 36/ 0/ 166 |
Goodness-of-fit GoF | 2.700 |
Final R indexes [I > = 3σ (I)] | R1 = 0.0364, wR2 = 0.0552 |
Final R indexes [all data] | R1 = 0.0537, wR2 = 0.0585 |
Largest diff. peak/hole/e Å−3 | 6.93/− 6.85 |
