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ID21 Sulfur XANES spectra database home
 

Database SCompounds

last modified 28-05-2009 10:19

Database of sulfur compounds

 This database of S K-edge XANES spectra of sulfur reference compounds has been created thanks to the contribution of the users at ID21. All the references were acquired on ID21. For each reference compound, you will find information about the chemical specificity and about the acquisition mode in this table and in the worksheet associated to the name. The data are also available.

 In case of use of these data, we would be grateful if you can cite the database reference and also the bibliographic reference if available. You can also contact the person who acquired the spectrum for more information about the sample. You will find their address by clicking on their name.

 This page "database S compound" is dedicated to the mineralogical and chemical sulfur reference compounds and in the second page "database S organic", you will find information related to the sulfur organic compounds. 

 The calibration value in keV was defined as the position of the maximum of white-line of the gypsum reference acquired for each experiment. This value is given to be able to calibrate together the different spectra, which may have been acquired during different experiments.

 Feel free to contact us in order to report mistakes or modifications and also to propose your own references.

 Summary of the content of the database:

  1. Chemical specificity of the reference compounds

  2. S chemical environment

  3. Origins of the compound and its conditioning

  4. Bibliographic references and related acknowledgment

  5. Information about the acquisition modes (type of detector, fluorescence or transmission geometry, macro or microbeam)

 

ID21 Team

Mineralogical Name Chemical Name Formula
 Mineralogical group Formal oxidation state
 Dana's classification number Crystal system Space group Acquisition mode Calibration (keV) Contact person Bibliographic references X-ray absorption data Spectrum Sheet
alunogen aluminium sulfate Al2(SO4)3, 17H2O
 sulfate 6+
 VI-28-8 triclinic P-1 fluorescence 2.4823 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 alunogen_fluo.dat alunogen_fluo.JPG alunogen.pdf
anglesite lead sulfate PbSO4
 sulfate 6+
 VI-28-3 orthorhombic Pbnm fluorescence 2.4823 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 anglesite_fluo.dat anglesite.JPG anglesite.pdf
anhydrite calcium sulfate anhydrous CaSO4
 sulfate 6+
 VI-28-3 orthorhombic Amma transmission 2.4825 Andreas Scheinost
anhydrite_fluo.dat
anhydrite_trans.dat
 anhydrite_fluo.JPG
anhydrite_trans.JPG
 anhydrite/anhydrite.pdf
arcanite potassium sulfate K2SO4
 sulfate 6+
 VI-28-2 orthorhombic Pmcn transmission 2.4825 Max Wilke   arcanite_trans.dat arcanite.JPG arcanite.pdf
auripigment arsenic (III) sulfide As2S3
 sulfide -2
 II-2-11 monoclinic P21/n fluorescence 2.4823 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 auripigment_fluo.dat auripigment_fluo.JPG auripigment.pdf
cinnabar mercury sulfide HgS
 sulfide -2
 II-2-8 trigonal rhombohedral P3121, P3221 fluorescence (photodiode) 2.4825 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 cinabar_fluo.dat cinnabar.JPG cinnabar.pdf
coquimbite iron(III) sulfate hydrate FeIII2(SO4)3, 9H2O
 sulfate 6+
 VI-29-8 trigonal P-3c fluorescence (photodiode) 2.4824 Koen Janssens
coquimbite_fluo.dat coquimbite.JPG coquimbite.pdf
corderoite  mercury chlorine sulfide
 Hg3S2Cl2
 sulfide -2
 IV-10-3 isometric I 213 fluorescence 2.4825 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 corderoite_fluo.dat corderoite.JPG corderoite.pdf
galena lead sulfide PbS
 sulfide -2
 II-2-8 isometric Fm3m fluorescence
 2.4827 Marine Cotte
   galene_fluo.dat galena_fluo.JPG galena.pdf
greenockite (substituted with Se) cadnium sulfide selenide CdSSe
sulfide -2
 II-2-8 hexagonal P 63mc fluorescence 2.4823 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 greenockite_fluo.dat greenockite.JPG greenockite.pdf
gypsum calcium sulfate dihydrate CaSO4, 2H2O
 sulfate 6+
 VI-29-6 monoclinic A2/a transmission 2.4825 Andreas Scheinost
gypsum_trans.dat gypsum_trans.JPG gypsum.pdf
haüyne   (Na,K)Ca2Al6Si6O24(SO4)~1,5
 tectosilicate 6+
 VIII-76-2 cubic P-43n fluorescence 2.4825 Max Wilke   hauyn_fluo.dat hauyne.JPG hauyne.pdf
jarosite   KFeIII3(SO4)2(OH)6
 sulfate 6+
 VI-30-2 trigonal R3 transmission 2.4825 Andreas Scheinost
jarosite_trans.dat
 jarosite.JPG jarosite.pdf
marcassite iron (II) sulfide FeS2
 sulfide -1
 II-2-12 orthorhombic Pnnm fluorescence, transmission 2.4825 Andreas Scheinost   marcassite_trans.dat marcassite_trans.JPG marcassite.pdf
melanterite iron(III) sulfate FeSO4, 7H2O
 sulfate 6+
 VI-29-6 monoclinic P21/c transmission 2.4825 Max Wilke   melanterite_tr.dat melanterite_trans.JPG melanterite.pdf
metacinnabar mercury sulfide HgS
 sulfide -2
 II-2-9 isometric F-43m fluorescence (photodiode) 2.4827 Marine Cotte
metacinabar_fluo.dat metacinnabar_fluo.JPG metacinnabar.pdf
mirabilite sodium sulfate hydrate Na2SO4, 10H2O
 sulfate 6+
 VI-29-2 monoclinic P21/a transmission
fluorescence (photodiode)		 2.4825 Magnus Sandström   mirabilite_trans.dat mirabilite_trans.JPG mirabilite.pdf
natrojarosite sodium iron(III) sulfate hydroxide  NaFeIII3(SO4)2(OH)6
 sulfate 6+
 VI-30-2 rhombohedral R3m fluorescence (photodiode) 2.4825 Magnus Sandström   natrojarosite_fluo.dat natrojarosite_fluo.JPG natrojarosite.pdf
parabutlerite iron(III) sulfate hydroxyl hydrate FeIII(SO4)OH, 2H2O
 sulfate 6+
 VI-31-9 orthorhombic Pmnb fluorescence (photodiode) 2.4824 Koen Janssens   parabutlerite_fluo.dat parabutlerite_fl.JPG parabutlerite.pdf
paracoquimbite iron(III) sulfate hydrate FeIII2(SO4)3, 9H2O
 sulfate 6+
 VI-29-8 trigonal rhombohedral R-3 fluorescence (photodiode) 2.4824 Koen Janssens   paracoquimbite_fluo.dat
 paracoquimbite_fl.JPG paracoquimbite.pdf
pyrite iron (II) sulfide FeS2
 sulfide -1
 II-2-12 isometric Pa3 transmission
fluorescence (photodiode)		 2.4825 Magnus Sandström   pyrite_trans.dat pyrite_trans.JPG pyrite.pdf
pyrrhotite 4M
pyrrhotite 4C		 iron (II) sulfide Fe7S8
FeS
 sulfide -2
 II-2-8 monoclinic A2/a transmission
fluorescence (photodiode)		 2.4825 Magnus Sandström   pyrrhotite4C_trans.dat
pyrrhotite4C_fluo.dat		 Pyrrhotite4C_trans.JPG
Pyrrhotite4C_fluo.JPG
 pyrrhotite4C.pdf
quenstedtite iron (III) sulfate hydrate Fe2(SO4)3, 10 H2O
 sulfate 6+
 VI-29-8 triclinic P-1 fluorescence (photodiode) 2.4824 Koen Janssens   quenstedtite_fluo.dat quenstedtite_fluo.JPG quenstedtite.pdf
rhomboclase   H5O2FeIII(SO4)2, 2H2O
 sulfate 6+
 VI-29-1 orthorhombic dipyramidal Pnma fluorescence (photodiode) 2.4824 Koen Janssens   rhomboclase_fluo.dat rhomboclase.JPG rhomboclase.pdf
romerite iron(II) sulfate hydrate FeII3(SO4)4, 14H2O
 sulfate 6+
 VI-29-7 triclinic P-1 fluorescence (photodiode) 2.4824 Koen Janssens   romerite_fluo.dat romerite.JPG romerite.pdf
siderotil iron(II) sulfate pentahydrate FeII(SO4), 5H2O
 sulfate 6+
 VI-29-6 triclinic P-1 fluorescence (photodiode)
transmission		 2.4824 Koen Janssens   siderotil_trans.dat siderotil.JPG siderotil.pdf
sphalerite zinc sulfide ZnS
 sulfide -2
 II-2-8 cubic F-43m transmission 2.4825 Andreas Scheinost   sphalerite_trans.dat sphalerite.JPG sphalerite.pdf
stibine antimony sulfide Sb2S3
 sulfide -2
 II-2-11 orthorhombic Pbnm fluorescence 2.4823 Marine Cotte Cotte, Susini, Metrich et al. Analytical Chemistry, Vol.78(21), 2006:7484-7492 stibine_fluo.dat stibine.JPG stibine.pdf
sulfur sulfur S8
 native element 0
 I-1-3 orthorhombic Fddd transmission
fluorescence (photodiode)		 2.4825 Sandström   sulfur_trans_norm.dat sulfur_tr.JPG sulfur_tr.pdf
troilite (-2H) iron (II) sulfide FeS
 sulfide -2
 II-2-8 hexagonal P63/mmc fluorescence (photodiode) 2.4825 Sandström   troilite_fluo.dat troilite_fluo.JPG troilite.pdf
zincosite zinc sulfate  ZnSO4
 sulfate 6+
 VI-28-0 orthorhombic unk. transmission
fluorescence (photodiode)		 ZnSO4 at 2.4825 keV Magdalena Szczerbowska-Boruchowska   zincosite_trans.dat zincosite_T.JPG zincosite.pdf

mercury sulfate HgSO4 sulfate 6+ chemical compound

fluorescence 2.4827 Marine Cotte
mercury_sulfate_fluo.dat mercury_sulfate_fluo.JPG mercury_sulfate.pdf
  potassium persulfate K2S2O8
 persulfate 6+
 chemical compound     transmission 2.4825 Max Wilke   K_persulfate_trans.dat K_persulfate.JPG K_persulfate.pdf
  potassium sulfite K2SO3
 sulfite 4+
 chemical compound     fluorescence (photodiode) 2.4824 Koen Janssens   K_sulfite_fluo.dat K_sulfite_fluo.JPG K_sulfite.pdf
  sodium methanesulfonate  CH3SO3Na
 sulfonate 4+
 chemical compound orthorhombic   transmission
fluorescence (photodiode)		 2.4825 Magnus Sandström   Na_methanesulfonate_trans.dat
Na_methanesulfonate_fluo.dat
 Na_methanesulfonate_trans.JPG Na_methanesulfonate.pdf
  sodium sulfite anhydrous Na2SO3
 sulfite 4+
 chemical compound     transmission
fluorescence (SDD)		 2.4825 Max Wilke   Na_sulfite_tr.dat Na_sulfite_tr.JPG Na_sulfite.pdf
  sodium thiosulfate Na2S2O3, 5H2O
 thiosulfate -2 +6
 chemical compound monoclinic   transmission
fluorescence (photodiode)		 2.4824 Magnus Sandström   Na_thiosulfate_trans.dat
Na_thiosulfate_fluo.dat
 Na_thiosulfate_trans.JPG Na_thiosulfate.pdf
  sodium bisulfite Na2S2O5
 sulfite +3 +5
 chemical compound     transmission
fluorescence (SDD)		 2.4825 Max Wilke Mckeown et al (2004) J Non-cryt. Solids, 333, 74-84 Na_bisulfite_tr.dat Na_bisulfite_tr.JPG Na_bisulfite.pdf
  Sodium trichloromethane sulfonate monohydrate CCl3SO3Na, 1H2O
 sulfite 4+
 chemical compound monoclinic   transmission
fluorescence (photodiode)		 2.4825 Magnus Sandström The sample was prepared according to the reference: H. G. M. Edwards, D. N. Smith, J. Mol. Struct., 1991, 263, 11-20. CCl3SO3Na_trans.dat CCl3SO3Na_trans.JPG CCl3SO3Na.pdf
  zinc sulfide ZnS
 sulfide -2
 chemical compound     transmission
fluorescence (photodiode)		 ZnSO4 at 2.4825 keV Magdalena Szczerbowska-Boruchowska   ZnS_trans.dat
ZnS_fluo.dat		 ZnS_trans.JPG
ZnS_fluo.JPG		 ZnS.pdf
 
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