Belay Zeleke Dilnesa - Eawag-Empa Library

APPENDIX
APPENDIX
Appendix A: Additional fitted structural parameters
Appendix A1. EXAFS fitted structural parameters for Fe-containing compounds and comparison
with XRD data
Phases Atomic pair N σ(Å) R(Å) R-Factor(%) R(Å) (XRD)
C4AF Fe-O 3.9 0.009 1.95 2 1.94 [145]
Fe-Ca 5.1 0.011 3.12 3.04/3.22
Fe-Fe 5 0.007 3.6 3.48
Fe-Al 4.8 0.004 3.59 3.66
C2F Fe-O 3.0 + 0.006 1.9 6.2 1.96 [146]
Fe-Ca 3.0 + 0.018 3.14 3.06/3.22
Fe-Fe 2.0 + 0.005 3.65 3.72
Fe-Fe 4.0 + 0.011 3.99 3.9
Fe(OH)3 Fe-O 6.0 + 0.012 2 3.3 1.96 [147]
Fe-Fe 4.0 + 0.012 3.04 3.01
Fe-Fe 4.0 + 0.013 3.41 3.44
C4FcH12 Fe-O 6.0+ 0.006 2.02 6 2.04
Fe-Ca 6.0+ 0.008 3.47 3.46
C4AcH12 Al-Ca 6.0 - 3.40*
C6Fs3H32 Fe-O 5.4 0.004 2.03 2.5 1.92 [148] *
Fe-Ca 5.1 0.01 3.52
C6AsH32 Al-Ca 6.0 - - 3.44*
Fe-Hydrotalcite Fe-O 5.7 0.003 2.03 1.5 2.06 [149]]
Fe-Mg 6.0 # 0.005 3.13 3.11
C3FSH4 Fe-O 6.0 + 0.009 2.01 3.7 2.02 [106] *
Fe-Si 6.0 + 0.005 3.39
Fe-Ca 6.0 + 0.007 3.46
C3ASH4 Al-Si 6 3.43*
Al-Ca 6 - - 3.43*
N: Coordination number of the neighboring atom (Uncertainty ± 20%)
R: Distance to the neighboring atom (Uncertainty ± 0.02 Å)
σ: Debye-Waller factor
*: values from Al-containing phases
+: fixed parameters during fitting
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