Rietveld refinement of XRD
Fe-THQ · Powder
Fe-THQ used as structural analysis example; cubic Pm-3 model.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Fe-THQ a lattice parameter | 10.615 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ alpha/beta/gamma | 90 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ b lattice parameter | 10.615 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ c lattice parameter | 10.615 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ goodness of fit chi2 | 4.56 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ Rp | 2.03 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ Rwp | 2.56 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |
| Fe-THQ unit cell volume | 1196.14 | — | — | SI Table Exact Reported | p017 · S2 Supplementary Figures and Tables · Table S2 |