X-ray powder diffraction data of an Fe3C powder consisting of polycrystalline particles shows pronouncedly anisotropic microstrain broadening of the Bragg reflections. The extent and anisotropy of the broadening can quantitatively be attributed to thermal microstresses induced by anisotropic thermal shrinkage from the preparation temperature of 873 K to the ambient analysis temperature, in conjunction with the elastic anisotropy of Fe3C.
Supporting information
Crystal data top
Fe3C | β = 90° |
Mr = ? | γ = 90° |
?, ? | V = 155.50 (1) Å3 |
a = 5.09100 (1) Å | Z = 4 |
b = 6.74692 (2) Å | X-ray radiation, λ = 1.78897 Å |
c = 4.52711 (1) Å | T = 300 K |
α = 90° | ?, 15 × 15 mm |
Data collection top
Radiation source: sealed X-ray tube | Scan method: continuous |
Graphite 002 monochromator | 2θmin = 19.984°, 2θmax = 139.992°, 2θstep = 0.009° |
Data collection mode: reflection | |
Refinement top
Rp = 0.018 | Profile function: FPA analysed on the basis of LaB6 pattern, anisotropic microstrain broadening |
Rwp = 0.024 | Weighting scheme based on measured s.u.'s |
Rexp = ? | |
R(F) = 0.008 | Background function: Chebychev Polynoms 10th order |
χ2 = NOT FOUND | Preferred orientation correction: none |
15002 data points | |
Crystal data top
Fe3C | β = 90° |
Mr = ? | γ = 90° |
?, ? | V = 155.50 (1) Å3 |
a = 5.09100 (1) Å | Z = 4 |
b = 6.74692 (2) Å | X-ray radiation, λ = 1.78897 Å |
c = 4.52711 (1) Å | T = 300 K |
α = 90° | ?, 15 × 15 mm |
Data collection top
Data collection mode: reflection | 2θmin = 19.984°, 2θmax = 139.992°, 2θstep = 0.009° |
Scan method: continuous | |
Refinement top
Rp = 0.018 | R(F) = 0.008 |
Rwp = 0.024 | χ2 = NOT FOUND |
Rexp = ? | 15002 data points |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Biso*/Beq | |
Fe | 0.17883 (5) | 0.06704 (4) | 0.33533 (7) | 0.500 (6) | |
Fe | 0.03744 (6) | 0.25 | 0.83921 (11) | 0.500 (6) | |
C | 0.8791 (3) | 0.25 | 0.4403 (4) | 0.500 (6) | |
Experimental details
Crystal data |
Chemical formula | Fe3C |
Mr | ? |
Crystal system, space group | ?, ? |
Temperature (K) | 300 |
a, b, c (Å) | 5.09100 (1), 6.74692 (2), 4.52711 (1) |
α, β, γ (°) | 90, 90, 90 |
V (Å3) | 155.50 (1) |
Z | 4 |
Radiation type | X-ray, λ = 1.78897 Å |
Specimen shape, size (mm) | ?, 15 × 15 |
|
Data collection |
Diffractometer | ? |
Specimen mounting | ? |
Data collection mode | Reflection |
Scan method | Continuous |
2θ values (°) | 2θmin = 19.984 2θmax = 139.992 2θstep = 0.009 |
|
Refinement |
R factors and goodness of fit | Rp = 0.018, Rwp = 0.024, Rexp = ?, R(F) = 0.008, χ2 = NOT FOUND |
No. of data points | 15002 |
No. of parameters | ? |
No. of restraints | ? |