Supporting information
Portable Document Format (PDF) file https://doi.org/10.1107/S1600576713031233/fs5049sup1.pdf | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713031233/fs5049sup2.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713031233/fs5049sup3.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713031233/fs5049sup4.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576713031233/fs5049sup5.cif | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup6.rtv | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup7.rtv | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup8.rtv | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup9.rtv | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup10.rtv | |
Rietveld powder data file (CIF format) https://doi.org/10.1107/S1600576713031233/fs5049sup11.rtv |
Cubic, Pm3m | V = 58.93 (1) Å3 |
Hall symbol: -P 4 2 3 | Constant Wavelength Neutron Diffraction radiation |
a = 3.89151 (5) Å |
Radiation source: nuclear reactor | 2θmin = 0.297°, 2θmax = 160.247°, 2θstep = 0.050° |
Rp = 4.367 | χ2 = NOT FOUND |
Rwp = 5.947 | 4001 data points |
Rexp = 2.847 | 34 parameters |
RBragg = 2.308 | 0 restraints |
Cubic, Pm3m | V = 58.93 (1) Å3 |
a = 3.89151 (5) Å | Constant Wavelength Neutron Diffraction radiation |
Rp = 4.367 | χ2 = NOT FOUND |
Rwp = 5.947 | 4001 data points |
Rexp = 2.847 | 34 parameters |
RBragg = 2.308 | 0 restraints |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Co | 0.50000 | 0.50000 | 0.50000 | 0.0031 (6)* | |
La | 0.00000 | 0.00000 | 0.00000 | 0.0055 (4)* | 0.50000 |
Ba | 0.00000 | 0.00000 | 0.00000 | 0.0055 (4)* | 0.50000 |
O | 0.50000 | 0.50000 | 0.00000 | 0.0176 (5)* | 0.96977 |
Experimental details
Crystal data | |
Chemical formula | ? |
Mr | ? |
Crystal system, space group | Cubic, Pm3m |
Temperature (K) | ? |
a (Å) | 3.89151 (5) |
V (Å3) | 58.93 (1) |
Z | ? |
Radiation type | Constant Wavelength Neutron Diffraction |
Specimen shape, size (mm) | ?, ? × ? × ? |
Data collection | |
Diffractometer | ? |
Specimen mounting | ? |
Data collection mode | ? |
Scan method | ? |
2θ values (°) | 2θmin = 0.297 2θmax = 160.247 2θstep = 0.050 |
Refinement | |
R factors and goodness of fit | Rp = 4.367, Rwp = 5.947, Rexp = 2.847, RBragg = 2.308, χ2 = NOT FOUND |
No. of parameters | 34 |
Computer programs: FULLPROF.