[Ifeffit] Fe K edge XANES and EXAFS spectrum of Hedenbergite
Matthew Marcus
mamarcus at lbl.gov
Sun Sep 13 23:06:18 CDT 2015
Here are some spectra for hedenbergite, taken at BL 10.3.2 (see attached paper). The calibration is such that Fe foil is at 7110.75eV. The reason for all that ITFA stuff is that the
XANES was done using a microbeam on 7 grains (4 verified by XRD) and the material has X-ray dichroism. Since it's monoclinic, the spectrum at any orientation is a sum of up to 4
independent coefficients. Thus, I used PCA and ITFA to extract 3 or 4, and averaged all 7 spots together to get an estimated powder average. Use at own risk.
mam
On 9/13/2015 4:25 PM, Valmor Roberto Mastelaro wrote:
> Dear Collegues,
> I'm looking for the Fe K edge exafs/xanes spectrum of hedenbergite.
>
> I am grateful if someone can provide me.
>
> Thanks in advance.
>
> Valmor
>
>
>
> Prof. Valmor R. Mastelaro
>
> Grupo Crescimento de Cristais e Materiais Cerâmicos
> Instituto de Física de São Carlos - USP São Carlos
> Tel: 55 16 3373-9828
> E-mail alternativo: vmastelaro at gmail.com
> http://www.ifsc.usp.br/ccmc/
>
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
-------------- next part --------------
#%Name: Hedenbergite powder average
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
7.0149338E+3 2.5666562E-3
7.0199326E+3 2.9914245E-3
7.0249314E+3 2.7453951E-3
7.0299301E+3 3.1754675E-3
7.0349289E+3 2.9264240E-3
7.0399277E+3 3.1877226E-3
7.0449265E+3 3.7151060E-3
7.0499253E+3 3.8717698E-3
7.0549241E+3 4.1485596E-3
7.0599228E+3 4.8441429E-3
7.0649216E+3 5.2050373E-3
7.0699204E+3 5.3969762E-3
7.0749192E+3 5.7636637E-3
7.0799179E+3 7.1322413E-3
7.0849167E+3 8.3802186E-3
7.0899155E+3 9.6306966E-3
7.0949143E+3 1.1873749E-2
7.0954141E+3 1.1842141E-2
7.0959140E+3 1.2272148E-2
7.0964139E+3 1.2345565E-2
7.0969138E+3 1.2713106E-2
7.0974137E+3 1.3026851E-2
7.0979135E+3 1.3376265E-2
7.0984134E+3 1.4053844E-2
7.0989133E+3 1.4379331E-2
7.0994132E+3 1.4560488E-2
7.0999130E+3 1.4669388E-2
7.1004129E+3 1.5346057E-2
7.1009128E+3 1.5603599E-2
7.1014127E+3 1.5985986E-2
7.1019125E+3 1.6687777E-2
7.1024124E+3 1.7526751E-2
7.1029123E+3 1.7358995E-2
7.1034122E+3 1.8267607E-2
7.1039121E+3 1.9139422E-2
7.1044119E+3 1.9436458E-2
7.1049118E+3 2.0474247E-2
7.1054117E+3 2.1238117E-2
7.1059116E+3 2.2185438E-2
7.1064114E+3 2.3093137E-2
7.1069113E+3 2.4232695E-2
7.1074112E+3 2.5373678E-2
7.1079111E+3 2.6858721E-2
7.1084110E+3 2.8456872E-2
7.1089108E+3 3.0865435E-2
7.1094107E+3 3.4228965E-2
7.1099106E+3 3.9709938E-2
7.1104105E+3 4.9042642E-2
7.1109103E+3 5.7428540E-2
7.1114102E+3 6.0711336E-2
7.1119101E+3 5.9782656E-2
7.1124100E+3 5.9003794E-2
7.1129098E+3 6.0413926E-2
7.1134097E+3 6.2337699E-2
7.1139096E+3 6.3120836E-2
7.1144095E+3 6.6019969E-2
7.1149094E+3 7.1907491E-2
7.1154092E+3 7.9504079E-2
7.1159091E+3 9.3585204E-2
7.1164090E+3 1.1473747E-1
7.1169089E+3 1.4538556E-1
7.1174087E+3 1.9225180E-1
7.1179086E+3 2.5504365E-1
7.1184085E+3 3.4572417E-1
7.1189084E+3 4.5400744E-1
7.1194082E+3 5.6665088E-1
7.1199081E+3 6.7848592E-1
7.1204080E+3 7.6224885E-1
7.1209079E+3 8.1917326E-1
7.1214078E+3 8.6678573E-1
7.1219076E+3 9.2321311E-1
7.1224075E+3 9.9925174E-1
7.1229074E+3 1.0948638E+0
7.1234073E+3 1.1876290E+0
7.1239071E+3 1.2792390E+0
7.1244070E+3 1.3467188E+0
7.1249069E+3 1.3758679E+0
7.1254068E+3 1.3614801E+0
7.1259066E+3 1.3247098E+0
7.1264065E+3 1.2875214E+0
7.1269064E+3 1.2612285E+0
7.1274063E+3 1.2546898E+0
7.1279061E+3 1.2679152E+0
7.1284060E+3 1.2918998E+0
7.1289059E+3 1.3161265E+0
7.1294058E+3 1.3163888E+0
7.1299057E+3 1.2909604E+0
7.1304055E+3 1.2459234E+0
7.1309054E+3 1.1954723E+0
7.1314053E+3 1.1459045E+0
7.1319052E+3 1.0971024E+0
7.1324050E+3 1.0561160E+0
7.1329049E+3 1.0209715E+0
7.1334048E+3 9.9504607E-1
7.1339047E+3 9.7493857E-1
7.1344045E+3 9.6035177E-1
7.1349044E+3 9.4972296E-1
7.1354043E+3 9.4178809E-1
7.1359042E+3 9.3463246E-1
7.1364041E+3 9.2823904E-1
7.1369039E+3 9.2442289E-1
7.1374038E+3 9.2189141E-1
7.1379037E+3 9.2161499E-1
7.1384036E+3 9.2250728E-1
7.1389034E+3 9.2511805E-1
7.1394033E+3 9.3003955E-1
7.1399032E+3 9.3811798E-1
7.1409029E+3 9.5646002E-1
7.1419027E+3 9.7511501E-1
7.1429024E+3 9.8894080E-1
7.1439022E+3 9.8562929E-1
7.1449020E+3 9.6818653E-1
7.1459017E+3 9.3822012E-1
7.1469015E+3 9.0190995E-1
7.1479012E+3 8.6646284E-1
7.1489010E+3 8.3763188E-1
7.1499007E+3 8.1756845E-1
7.1509005E+3 8.0397647E-1
7.1519002E+3 7.9716746E-1
7.1529000E+3 7.9795376E-1
7.1538997E+3 8.0581565E-1
7.1548995E+3 8.1616425E-1
7.1558992E+3 8.2913578E-1
7.1568990E+3 8.4585178E-1
7.1578987E+3 8.6397424E-1
7.1588985E+3 8.8706259E-1
7.1598982E+3 9.1434299E-1
7.1608980E+3 9.4019129E-1
7.1618977E+3 9.6451387E-1
7.1628975E+3 9.8466026E-1
7.1638972E+3 1.0027085E+0
7.1648970E+3 1.0162550E+0
7.1658968E+3 1.0260305E+0
7.1668965E+3 1.0352645E+0
7.1678963E+3 1.0401122E+0
7.1688960E+3 1.0440051E+0
7.1698958E+3 1.0472426E+0
7.1708955E+3 1.0525138E+0
7.1718953E+3 1.0570997E+0
7.1728950E+3 1.0580412E+0
7.1738948E+3 1.0586402E+0
7.1748945E+3 1.0560656E+0
7.1758943E+3 1.0499682E+0
7.1768940E+3 1.0433859E+0
7.1778938E+3 1.0351125E+0
7.1788935E+3 1.0278829E+0
7.1798933E+3 1.0219154E+0
7.1808930E+3 1.0195547E+0
7.1818928E+3 1.0173226E+0
7.1828925E+3 1.0182056E+0
7.1838923E+3 1.0173973E+0
7.1848920E+3 1.0147761E+0
7.1858918E+3 1.0100288E+0
7.1868915E+3 1.0040768E+0
7.1878913E+3 9.9848982E-1
7.1888910E+3 9.9033553E-1
7.1898908E+3 9.8412827E-1
7.1908905E+3 9.7672095E-1
7.1918903E+3 9.7070271E-1
7.1928900E+3 9.6713183E-1
7.1938898E+3 9.6390224E-1
7.1948895E+3 9.6176761E-1
7.1958893E+3 9.5911072E-1
7.1968891E+3 9.5486243E-1
7.1978888E+3 9.5405464E-1
7.1988886E+3 9.5135641E-1
7.1998883E+3 9.5185496E-1
7.2008881E+3 9.5087758E-1
7.2018878E+3 9.5085459E-1
7.2028876E+3 9.5122277E-1
7.2038873E+3 9.5088245E-1
7.2048871E+3 9.5124636E-1
7.2058868E+3 9.5352560E-1
7.2068866E+3 9.5533011E-1
7.2078863E+3 9.5755440E-1
7.2088861E+3 9.6032218E-1
7.2098858E+3 9.6101341E-1
7.2119270E+3 9.6433842E-1
7.2139681E+3 9.6894606E-1
7.2160093E+3 9.7568818E-1
7.2180504E+3 9.8282731E-1
7.2200916E+3 9.8801704E-1
7.2221328E+3 9.8891160E-1
7.2241739E+3 9.8731036E-1
7.2262151E+3 9.8324816E-1
7.2282562E+3 9.7692529E-1
7.2302974E+3 9.7342685E-1
7.2323385E+3 9.7107692E-1
7.2343797E+3 9.7168512E-1
7.2364208E+3 9.7368701E-1
7.2384620E+3 9.7827884E-1
7.2405032E+3 9.8364734E-1
7.2425443E+3 9.8912245E-1
7.2445855E+3 9.9524871E-1
7.2466266E+3 1.0009875E+0
7.2486678E+3 1.0065783E+0
7.2507089E+3 1.0111535E+0
7.2527501E+3 1.0151469E+0
7.2547912E+3 1.0180790E+0
7.2568324E+3 1.0186309E+0
7.2588735E+3 1.0198206E+0
7.2593734E+3 1.0204717E+0
7.2598733E+3 1.0212708E+0
7.2603732E+3 1.0194733E+0
7.2608730E+3 1.0187976E+0
7.2613729E+3 1.0189177E+0
7.2618728E+3 1.0194550E+0
7.2623727E+3 1.0193694E+0
7.2628725E+3 1.0191173E+0
7.2633724E+3 1.0162300E+0
7.2638723E+3 1.0136350E+0
7.2643722E+3 1.0155700E+0
7.2648720E+3 1.0151577E+0
7.2653719E+3 1.0150624E+0
7.2658718E+3 1.0158353E+0
7.2663717E+3 1.0134524E+0
7.2668715E+3 1.0132144E+0
7.2673714E+3 1.0127049E+0
7.2678713E+3 1.0106650E+0
7.2683712E+3 1.0109853E+0
7.2688710E+3 1.0091767E+0
7.2738698E+3 9.9464457E-1
7.2788685E+3 9.8708399E-1
7.2838673E+3 9.7808530E-1
7.2888660E+3 9.7624439E-1
7.2938647E+3 9.7484607E-1
7.2988635E+3 9.7562980E-1
7.3038622E+3 9.8299371E-1
7.3088609E+3 9.9105403E-1
7.3138597E+3 1.0005668E+0
7.3188584E+3 1.0050640E+0
7.3238572E+3 1.0073929E+0
7.3288559E+3 1.0047989E+0
7.3338546E+3 9.9815547E-1
7.3388533E+3 9.9782612E-1
7.3438521E+3 9.9680132E-1
7.3488508E+3 9.9708169E-1
7.3538495E+3 9.9709852E-1
7.3588483E+3 9.9672518E-1
7.3638470E+3 9.9479674E-1
7.3688457E+3 9.9521942E-1
7.3738444E+3 9.9857618E-1
7.3788432E+3 1.0034206E+0
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#%Name: Hedenbergite ITFA3-comp component 0
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
7.0149338E+3 2.7759502E-3
7.0199326E+3 2.9531917E-3
7.0249314E+3 2.2791091E-3
7.0299301E+3 3.7210687E-3
7.0349289E+3 2.8161530E-3
7.0399277E+3 3.5803659E-3
7.0449265E+3 4.3664608E-3
7.0499253E+3 4.0214928E-3
7.0549241E+3 3.5947362E-3
7.0599228E+3 4.4258134E-3
7.0649216E+3 5.0282296E-3
7.0699204E+3 5.6629592E-3
7.0749192E+3 5.5639559E-3
7.0799179E+3 6.4057618E-3
7.0849167E+3 8.5760151E-3
7.0899155E+3 9.8117858E-3
7.0949143E+3 1.1835422E-2
7.0954141E+3 1.2393710E-2
7.0959140E+3 1.2332250E-2
7.0964139E+3 1.2432874E-2
7.0969138E+3 1.2529465E-2
7.0974137E+3 1.2432786E-2
7.0979135E+3 1.2752981E-2
7.0984134E+3 1.4051315E-2
7.0989133E+3 1.4286151E-2
7.0994132E+3 1.4372699E-2
7.0999130E+3 1.5170292E-2
7.1004129E+3 1.5799188E-2
7.1009128E+3 1.5620840E-2
7.1014127E+3 1.5841873E-2
7.1019125E+3 1.6515871E-2
7.1024124E+3 1.7104757E-2
7.1029123E+3 1.7718349E-2
7.1034122E+3 1.8541458E-2
7.1039121E+3 1.9145239E-2
7.1044119E+3 1.9124803E-2
7.1049118E+3 2.0374689E-2
7.1054117E+3 2.1872889E-2
7.1059116E+3 2.2171900E-2
7.1064114E+3 2.3239743E-2
7.1069113E+3 2.4535516E-2
7.1074112E+3 2.5859564E-2
7.1079111E+3 2.7126805E-2
7.1084110E+3 2.8592350E-2
7.1089108E+3 3.1928519E-2
7.1094107E+3 3.5714377E-2
7.1099106E+3 4.2896357E-2
7.1104105E+3 5.3795561E-2
7.1109103E+3 6.3483570E-2
7.1114102E+3 6.5518111E-2
7.1119101E+3 6.3405798E-2
7.1124100E+3 6.0447516E-2
7.1129098E+3 5.9466017E-2
7.1134097E+3 6.1635708E-2
7.1139096E+3 6.3877088E-2
7.1144095E+3 6.7001331E-2
7.1149094E+3 7.2412118E-2
7.1154092E+3 8.0824285E-2
7.1159091E+3 9.5482819E-2
7.1164090E+3 1.1556872E-1
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7.1174087E+3 1.9047034E-1
7.1179086E+3 2.4291750E-1
7.1184085E+3 3.1366356E-1
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7.1678963E+3 1.0170051E+0
7.1688960E+3 1.0169268E+0
7.1698958E+3 1.0153007E+0
7.1708955E+3 1.0157173E+0
7.1718953E+3 1.0218900E+0
7.1728950E+3 1.0249344E+0
7.1738948E+3 1.0315638E+0
7.1748945E+3 1.0332843E+0
7.1758943E+3 1.0366796E+0
7.1768940E+3 1.0375251E+0
7.1778938E+3 1.0376515E+0
7.1788935E+3 1.0352083E+0
7.1798933E+3 1.0343917E+0
7.1808930E+3 1.0346399E+0
7.1818928E+3 1.0369146E+0
7.1828925E+3 1.0430253E+0
7.1838923E+3 1.0444196E+0
7.1848920E+3 1.0433353E+0
7.1858918E+3 1.0403115E+0
7.1868915E+3 1.0381302E+0
7.1878913E+3 1.0327955E+0
7.1888910E+3 1.0204541E+0
7.1898908E+3 1.0104018E+0
7.1908905E+3 9.9492668E-1
7.1918903E+3 9.8317193E-1
7.1928900E+3 9.7154545E-1
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7.4038368E+3 9.9576159E-1
-------------- next part --------------
#%Name: Hedenbergite ITFA3-comp component 1
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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7.4038368E+3 9.9150138E-1
-------------- next part --------------
#%Name: Hedenbergite ITFA3-comp component 2
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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7.3988381E+3 9.9918815E-1
7.4038368E+3 9.9900051E-1
-------------- next part --------------
#%Name: Hedenbergite ITFA component 0
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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7.4038368E+3 9.9871759E-1
-------------- next part --------------
#%Name: Hedenbergite ITFA component 1
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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#%Name: Hedenbergite ITFA component 2
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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#%Name: Hedenbergite ITFA component 3
#%Empirical formula: CaFe2+Si2O6 / Webmineral
#%Mineral group: clinopyroxenes, inosilicate
#%Xtal system: Monoclinic
#%Edge: K
#%Sample prep: powder on kapton tape
#%Beamline: ALS 10.3.2, HxV slits = 80x30 um
#%Det: I0=N2, Fluorescence mode (Ge solid state 7elts)
#%Ref/notes: Mineralogical Research Company, San Jose, CA-USA. XRD confirmed.
#%Temp: Room temp (28C)
#%Time&date: 12:58 PM 3/15/2007
#%Provider: Sirine Fakra, Matthew A. Marcus.
#%============================================================
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