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Table III Fit results for sample 2 POI g and i and ferroselite and elemental Se (monoclinic) standards

From: Micro-spectroscopic investigation of selenium-bearing minerals from the Western US Phosphate Resource Area

Sample Shell R(Å)a CNb σ22)c ΔR (Å)e (% difference)
POI g sample 2 fit with Se-substituted pyrite model Se–Se 2.25 1 0.001 ...
  Se–Fe 2.25 3 0.009 0.01(0.4)
  Se–S 3.24 12 0.015 0.04(1)
  Se–Fe 3.49 4 0.007 0.01(0.3)
POI i sample 2 fit with dzharkenite model Se–Se 2.16 1 0.008 0.12(5)
  Se–Fe 2.44 3 0.005 0.02(0.8)
  Se–Se 3.34 12 0.017 0.08(2)
  Se–Fe 3.71 6 0.007 0.01(0.3)
Ferroselite (FeSe2)      
  Se–Fe 2.38 3 0.008 0.001(0.04)
  Se–Se 2.57 1 0.004 0.07(3)
  Se–Se 3.05 1 0.008 0.1(3)
  Se–Se 3.29 10 0.02 0.1(3)
  Se–Fe 3.91 3 0.011 0.06(2)
Elemental Se (monoclinic)      
  Se–Se 2.35 2.2d 0.004 0.04(2)
  1. aBond distances.
  2. bCoordination number.
  3. cDebye–Waller factor.
  4. dNot fixed.
  5. eDifference between observed and theoretical bond distances (see Table IV for theoretical values used).