Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup1.cif | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup2.rtv | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup3.cif | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup4.rtv | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713032895/kk5153sup5.cif | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713032895/kk5153sup6.rtv |
Fe2O4Zn | V = 590.80 (5) Å3 |
Mr = 241.07 | Z = 8 |
Cubic, Fd3m | Constant Wavelength Neutron Diffraction radiation |
Hall symbol: -F 4vw 2vw 3 | T = 300 K |
a = 8.3910 (4) Å |
Radiation source: nuclear reactor | 2θmin = 1.066°, 2θmax = 128.966°, 2θstep = 0.100° |
Rp = 0.939 | χ2 = NOT FOUND |
Rwp = 1.198 | 1280 data points |
Rexp = 0.814 | 23 parameters |
RBragg = 0.995 | 0 restraints |
Fe2O4Zn | V = 590.80 (5) Å3 |
Mr = 241.07 | Z = 8 |
Cubic, Fd3m | Constant Wavelength Neutron Diffraction radiation |
a = 8.3910 (4) Å | T = 300 K |
Rp = 0.939 | χ2 = NOT FOUND |
Rwp = 1.198 | 1280 data points |
Rexp = 0.814 | 23 parameters |
RBragg = 0.995 | 0 restraints |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Fe1 | 0.12500 | 0.12500 | 0.12500 | 0.00887* | 0.621 (16) |
Zn1 | 0.12500 | 0.12500 | 0.12500 | 0.00887* | 0.379 (16) |
Fe2 | 0.50000 | 0.50000 | 0.50000 | 0.00887* | 0.689 (8) |
Zn | 0.50000 | 0.50000 | 0.50000 | 0.00887* | 0.311 (8) |
O1 | 0.2535 (3) | 0.2535 (3) | 0.2535 (3) | 0.00887* | 0.99994 |
Experimental details
Crystal data | |
Chemical formula | Fe2O4Zn |
Mr | 241.07 |
Crystal system, space group | Cubic, Fd3m |
Temperature (K) | 300 |
a (Å) | 8.3910 (4) |
V (Å3) | 590.80 (5) |
Z | 8 |
Radiation type | Constant 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 fit | Rp = 0.939, Rwp = 1.198, Rexp = 0.814, RBragg = 0.995, χ2 = NOT FOUND |
No. of parameters | 23 |
Computer programs: FULLPROF.