Table 1.
Beamline | 13 IDD, GSECARS, APS, ANL |
Wavelength, Å | 0.3344 |
Pressure, GPa | 10 |
Temperature, K | 298 |
Composition | Fe4O5 |
Symmetry | orthorhombic, Cmcm |
Lattice parameters a, b, c, Å | 2.8430 (7), 9.700 (8), 12.29 (6) |
Volume, Å3 | 339 (2) |
Z | 4 |
Rint | 0.032 |
Refl. range | -2 ≤ h ≤ 2, -7 ≤ k ≤ 7, -2 ≤ l ≤ 4 |
θ range, ° | 3.5 ≤ θ ≤ 9.1 |
N. reflections | 34 |
N. independent | 20 |
N. I > 2σ(I) | 20 |
Refinement | F2 |
R | 0.050 |
wR2 | 0.134 |