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. 2011 Oct 3;108(42):17281-17285. doi: 10.1073/pnas.1107573108

Table 1.

Summary of instrumental parameters and refinement statistical parameters for the single crystal structural analysis

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, 3 339 (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