Table 1 Crystal structure refinement details for (U,Pu)(Al,Fe)₃C₃.

Formula

(U_0.59(5)Pu_0.41(5))(Al_0.54(2)Fe_0.46(2))₃C₃*

Crystal system, space group

Monoclinic, C2/c

Temperature (K)

100 (1)

a, b, c (Å)

3.4111 (7), 5.8987 (12), 17.499 (4)

β (°)

90.12 (3)

V (ų)

352.10 (12)

Z

2

Calculated density (g cm⁻³)

7.480

Radiation type and wavelength (Å)

Synchrotron, λ = 0.71075

μ (mm⁻¹)

40.498

Crystal dimensions (mm)

0.004 \(\times\) 0.004 \(\times\) 0.004

Reflections for cell refinement

1018, 2.27–20° 2θ

Crystal description

Black triangular wedge

Diffractometer

Dectris EigerX 16 M

Scan type

φ scan with frame widths of 0.1°; counting time per frame of 0.01 s

Beam size (with at half maximum)

 ~ 20 µm

θ (°) range

2.328–24.692°

Indices range of h, k, l

h: ± 4, k: ± 6, l: ± 20

Absorption correction

Multi-scan SADABS (Bruker, 2001)

T_min, T_max

0.2854, 0.4342

No. of measured, independent and observed [I > 2σ(I)] reflections

1747, 288, 213

R_int

0.0601

Data completeness to 24.692° θ (%)

100

Number of reflections, parameters, restraints

288, 37, 0

R₁[F² > 2σ(F²)], R₁(all)

0.0298, 0.0367

wR₂[F² > 2σ(F²)], wR₂(all)

0.0758, 0.0787

GoF (F²)

0.947

Δρ_min, Δρ_max (e Å⁻³)

− 1.34, 1.24

The intensity data sets were processed using XDS³⁸, XPREP³⁹ and SADABS⁴⁰, finding 1747 reflections with an R_int of 0.0601. Atomic positions were located using SHELXT-2018/3⁴¹, and then refined anisotropically using SHELXL-2018/3⁴² using neutral atomic scattering factors