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Neutron and X-ray powder diffraction have been used to investigate the differences between the crystal growth of ferrite magnetic nanoparticles (MFe2O4 with M = Mn, Fe, Co, Ni, Zn) by two methodologies: microwave radiation and thermal decomposition routes. Rietveld refinement has been used to extract the cationic distribution, the microstructure and magnetic information. Results for the nanoparticles produced by the two procedures evidence similar cationic distribution, microstructure and magnetic properties: complete cationic disorder for M = Mn and Co, crystal size around/below 10 nm etc. It is thus proven that microwave-assisted growth is a promising eco-friendly synthetic technique for the generation of high-quality nanocrystals with comparable structure and properties to those produced by the thermal methodology, even though the microwave route needs a shorter time and lower annealing temperature to obtain the final crystal nanoparticles.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup1.cif
Contains datablocks global, ZnFe2O4

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup2.rtv
Contains datablock ZnFe2O4

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup3.cif
Contains datablocks global, MnFe2O4

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup4.rtv
Contains datablock MnFe2O4

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup5.cif
Contains datablocks global, Fe3O4, Fe2O3-Maguemite

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup6.rtv
Contains datablock Fe3O4

Computing details top

Program(s) used to refine structure: FULLPROF.

Fe2O4Zn1 top
Crystal data top
Fe2O4ZnV = 590.80 (5) Å3
Mr = 241.07Z = 8
Cubic, Fd3mConstant Wavelength Neutron Diffraction radiation
Hall symbol: -F 4vw 2vw 3T = 300 K
a = 8.3910 (4) Å
Data collection top
Radiation source: nuclear reactor2θmin = 1.066°, 2θmax = 128.966°, 2θstep = 0.100°
Refinement top
Rp = 0.939χ2 = NOT FOUND
Rwp = 1.1981280 data points
Rexp = 0.81423 parameters
RBragg = 0.9950 restraints
Crystal data top
Fe2O4ZnV = 590.80 (5) Å3
Mr = 241.07Z = 8
Cubic, Fd3mConstant Wavelength Neutron Diffraction radiation
a = 8.3910 (4) ÅT = 300 K
Data collection top
2θmin = 1.066°, 2θmax = 128.966°, 2θstep = 0.100°
Refinement top
Rp = 0.939χ2 = NOT FOUND
Rwp = 1.1981280 data points
Rexp = 0.81423 parameters
RBragg = 0.9950 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Fe10.125000.125000.125000.00887*0.621 (16)
Zn10.125000.125000.125000.00887*0.379 (16)
Fe20.500000.500000.500000.00887*0.689 (8)
Zn0.500000.500000.500000.00887*0.311 (8)
O10.2535 (3)0.2535 (3)0.2535 (3)0.00887*0.99994
Geometric parameters (Å, º) top
Fe1—O11.8676
O1—Fe1—O1i109.5
Symmetry code: (i) x, y+1/4, z+1/4.

Experimental details

Crystal data
Chemical formulaFe2O4Zn
Mr241.07
Crystal system, space groupCubic, Fd3m
Temperature (K)300
a (Å)8.3910 (4)
V3)590.80 (5)
Z8
Radiation typeConstant Wavelength Neutron Diffraction
Specimen shape, size (mm)?, ? × ? × ?
Data collection
Diffractometer?
Specimen mounting?
Data collection mode?
Scan method?
2θ values (°)2θmin = 1.066 2θmax = 128.966 2θstep = 0.100
Refinement
R factors and goodness of fitRp = 0.939, Rwp = 1.198, Rexp = 0.814, RBragg = 0.995, χ2 = NOT FOUND
No. of parameters23

Computer programs: FULLPROF.

 

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