<?xml version="1.0" encoding="UTF-8"?><md:MetaData xmlns:md="http://www.pangaea.de/MetaData" version="2026-04-13">
<md:citation id="dataset995700">
<md:author id="dataset.author28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
<md:affiliation id="dataset.author28867.inst49">
<md:name>Leibniz Institute for Baltic Sea Research, Warnemünde</md:name>
<md:optionalName>IOW</md:optionalName>
<md:URI>https://www.io-warnemuende.de/en_index.html</md:URI>
<md:ROR>https://ror.org/03xh9nq73</md:ROR>
</md:affiliation>
<md:affiliation id="dataset.author28867.inst21719">
<md:name>University of Greifswald</md:name>
<md:ROR>https://ror.org/00r1edq15</md:ROR>
</md:affiliation>
</md:author>
<md:author id="dataset.author118155">
<md:lastName>Parafiniuk</md:lastName>
<md:firstName>Jan</md:firstName>
<md:eMail>j.parafiniuk@uw.edu.pl</md:eMail>
<md:affiliation id="dataset.author118155.inst22849">
<md:name>Department of Geochemistry, Mineralogy and Petrology, Faculty of Geology, University of Warsaw</md:name>
<md:URI>https://geo.uw.edu.pl/en/faculty/departments-and-laboratories/department-of-geochemistry-mineralogy-and-petrology/</md:URI>
<md:ROR>https://ror.org/039bjqg32</md:ROR>
</md:affiliation>
</md:author>
<md:year>2026</md:year>
<md:title>Stable isotope and trace element composition of methane-derived carbonates, elemental sulfur, and celestite from the Machów native sulfur deposit</md:title>
<md:type id="dataset.reftype10" includeInCitation="true">dataset</md:type>
<md:URI>https://doi.pangaea.de/10.1594/PANGAEA.995700</md:URI>
<md:dateTime>2026-06-29T09:22:43</md:dateTime>
</md:citation>
<md:abstract>On carbonate rock samples from a post-Miocene native sulfur deposit in south-eastern Poland, the stable isotope composition of primary and secondary calcite, primary aragonite, native sulfur, and secondary celestite were sampled between 1981 and 1985 and investigated in 1992. The carbonates and elemental sulfur are formed from oxidation of biogenic methane during reduction of Miocene calcium sulfates, celestite formed during aragonite-calcite recrystallization. The investigation aims to understand the biogeochemical processes associated to mineral (trans)formation. The trace elements (Sr, Mg, Mn, Ba, Na) bond to the carbonate lattice are measured to estimate the parent solution composition. Results are published in Böttcher &amp; Parafiniuk (1998) in the journal Isotopes in Environmental &amp; Health Studies.</md:abstract>
<md:reference dataciteRelType="References" group="210" id="ref140451" relationType="Related to" relationTypeId="12">
<md:author id="ref140451.author28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:author>
<md:author id="ref140451.author118155">
<md:lastName>Parafiniuk</md:lastName>
<md:firstName>Jan</md:firstName>
<md:eMail>j.parafiniuk@uw.edu.pl</md:eMail>
</md:author>
<md:year>1998</md:year>
<md:title>Methane-Derived Carbonates in a Native Sulfur Deposit: Stable Isotope and Trace Element Discriminations Related to the Transformation of Aragonite to Calcite</md:title>
<md:type id="ref140451.reftype1">journal article</md:type>
<md:source id="ref140451.journal7765" relatedTermIds="33924,33964" type="journal">Isotopes in Environmental and Health Studies</md:source>
<md:volume>34(1-2)</md:volume>
<md:URI>https://doi.org/10.1080/10256019708036345</md:URI>
<md:pages>177-190</md:pages>
</md:reference>
<md:extent>
<md:geographic>
<md:westBoundLongitude>21.7833</md:westBoundLongitude>
<md:eastBoundLongitude>21.7833</md:eastBoundLongitude>
<md:southBoundLatitude>50.5333</md:southBoundLatitude>
<md:northBoundLatitude>50.5333</md:northBoundLatitude>
<md:meanLongitude>21.7833</md:meanLongitude>
<md:meanLatitude>50.5333</md:meanLatitude>
</md:geographic>
<md:temporal>
<md:minDateTime>1981-01-01T00:00:00</md:minDateTime>
<md:maxDateTime>1985-12-31T00:00:00</md:maxDateTime>
</md:temporal>
</md:extent>
<md:event displayTypeName="Event" id="event3414600" typeName="Generic Event">
<md:label>1981-1985_Machow_sulfur_mine</md:label>
<md:latitude>50.5333</md:latitude>
<md:longitude>21.7833</md:longitude>
<md:dateTime>1981-01-01T00:00:00</md:dateTime>
<md:dateTime2>1985-12-31T00:00:00</md:dateTime2>
</md:event>
<md:size unit="data points">183</md:size>
<md:license id="license21">
<md:label>CC-BY-4.0</md:label>
<md:name>Creative Commons Attribution 4.0 International</md:name>
<md:URI>https://creativecommons.org/licenses/by/4.0/</md:URI>
</md:license>
<md:comment>The file contains geochemical analytical data derived from carbonate rocks of a native sulfur deposit at Machów in SE Poland. This includes the stable carbon and oxygen isotope as well as trace element (Sr, Mg, Mn, Ba, Na) composition of primary and secondary calcite and aragonite, and the S and O isotope composition of secondary celestite. In mixed carbonate samples, relative proportions of calcite to aragonite are determined by powder X-ray diffraction.</md:comment>
<md:matrixColumn col="0" id="col0.ds15946345" source="data" type="string">
<md:parameter id="col0.ds15946345.param16065">
<md:name>Sample ID</md:name>
<md:shortName>Sample ID</md:shortName>
</md:parameter>
<md:PI id="col0.ds15946345.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:caption>Sample ID</md:caption>
</md:matrixColumn>
<md:matrixColumn col="1" id="col1.ds15946346" source="data" type="string">
<md:parameter id="col1.ds15946346.param20767">
<md:name>Solid phases</md:name>
<md:shortName>Solid phases</md:shortName>
</md:parameter>
<md:method id="col1.ds15946346.method19327">
<md:name>Quantitative phase-analysis with x-ray powder diffraction, Philips</md:name>
</md:method>
<md:PI id="col1.ds15946346.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>MW-7: further Infrared spectroscopy (PerkinElmer, 683, KBr pellet technique)</md:comment>
<md:caption>Solid phases</md:caption>
</md:matrixColumn>
<md:matrixColumn col="2" format="0" id="col2.ds15946347" source="data" type="numeric">
<md:parameter id="col2.ds15946347.param2063">
<md:name>Calcite</md:name>
<md:shortName>Cal</md:shortName>
<md:unit>%</md:unit>
<md:URI>http://www.mindat.org/min-859.html</md:URI>
<md:term endOffset="7" fragment="1" id="col2.ds15946347.param2063.term1073320" semanticURI="http://purl.obolibrary.org/obo/CHEBI_46719" startOffset="0" terminologyId="16" terminologyLabel="ChEBI">
<md:name>calcite</md:name>
<md:URI>http://purl.obolibrary.org/obo/CHEBI_46719</md:URI>
</md:term>
<md:term id="col2.ds15946347.param2063.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:PI id="col2.ds15946347.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:caption>Cal [%]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="3" format="0.0" id="col3.ds15946348" source="data" type="numeric">
<md:parameter id="col3.ds15946348.param2235">
<md:name>Aragonite</md:name>
<md:shortName>Arg</md:shortName>
<md:unit>%</md:unit>
<md:URI>http://www.mindat.org/min-307.html</md:URI>
<md:term endOffset="9" fragment="1" id="col3.ds15946348.param2235.term1073614" semanticURI="http://purl.obolibrary.org/obo/CHEBI_52239" startOffset="0" terminologyId="16" terminologyLabel="ChEBI">
<md:name>aragonite</md:name>
<md:URI>http://purl.obolibrary.org/obo/CHEBI_52239</md:URI>
</md:term>
<md:term id="col3.ds15946348.param2235.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:PI id="col3.ds15946348.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:caption>Arg [%]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="4" format="0.0" id="col4.ds15946349" source="data" type="numeric">
<md:parameter id="col4.ds15946349.param2095">
<md:name>δ13C, carbonate</md:name>
<md:shortName>δ13C carb</md:shortName>
<md:unit>‰ PDB</md:unit>
<md:term endOffset="4" fragment="1" id="col4.ds15946349.param2095.term1073089" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>δ13C</md:name>
<md:URI>http://en.wikipedia.org/wiki/List_of_elements_by_stability_of_isotopes</md:URI>
</md:term>
<md:term endOffset="15" fragment="2" id="col4.ds15946349.param2095.term1073143" semanticURI="http://purl.obolibrary.org/obo/CHEBI_41609" startOffset="6" terminologyId="16" terminologyLabel="ChEBI">
<md:name>carbonate</md:name>
<md:URI>http://purl.obolibrary.org/obo/CHEBI_41609</md:URI>
</md:term>
</md:parameter>
<md:method id="col4.ds15946349.method19329">
<md:name>Mass spectrometer, Finnigan, MAT 251</md:name>
<md:term id="col4.ds15946349.method19329.term68027" terminologyId="3" terminologyLabel="PAN-M&amp;D">
<md:name>Chromatographs &amp; spectrometers</md:name>
</md:term>
</md:method>
<md:PI id="col4.ds15946349.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>spectrometer after H3PO4 reaction; mUr PDB</md:comment>
<md:caption>δ13C carb [‰ PDB]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="5" format="0.0" id="col5.ds15946350" source="data" type="numeric">
<md:parameter id="col5.ds15946350.param2094">
<md:name>δ18O, carbonate</md:name>
<md:shortName>δ18O carb</md:shortName>
<md:unit>‰ PDB</md:unit>
<md:term endOffset="4" fragment="1" id="col5.ds15946350.param2094.term1073093" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>δ18O</md:name>
<md:URI>http://en.wikipedia.org/wiki/List_of_elements_by_stability_of_isotopes</md:URI>
</md:term>
<md:term endOffset="15" fragment="2" id="col5.ds15946350.param2094.term1073143" semanticURI="http://purl.obolibrary.org/obo/CHEBI_41609" startOffset="6" terminologyId="16" terminologyLabel="ChEBI">
<md:name>carbonate</md:name>
<md:URI>http://purl.obolibrary.org/obo/CHEBI_41609</md:URI>
</md:term>
</md:parameter>
<md:method id="col5.ds15946350.method19329">
<md:name>Mass spectrometer, Finnigan, MAT 251</md:name>
<md:term id="col5.ds15946350.method19329.term68027" terminologyId="3" terminologyLabel="PAN-M&amp;D">
<md:name>Chromatographs &amp; spectrometers</md:name>
</md:term>
</md:method>
<md:PI id="col5.ds15946350.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>spectrometer after H3PO4 reaction; mUr PDB</md:comment>
<md:caption>δ18O carb [‰ PDB]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="6" format="0.0" id="col6.ds15946351" source="data" type="numeric">
<md:parameter id="col6.ds15946351.param565665">
<md:name>δ18O, Strontium sulfate</md:name>
<md:shortName>δ18O SrSO4</md:shortName>
<md:unit>‰ SMOW</md:unit>
<md:term endOffset="4" fragment="1" id="col6.ds15946351.param565665.term1073093" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>δ18O</md:name>
<md:URI>http://en.wikipedia.org/wiki/List_of_elements_by_stability_of_isotopes</md:URI>
</md:term>
</md:parameter>
<md:method id="col6.ds15946351.method19329">
<md:name>Mass spectrometer, Finnigan, MAT 251</md:name>
<md:term id="col6.ds15946351.method19329.term68027" terminologyId="3" terminologyLabel="PAN-M&amp;D">
<md:name>Chromatographs &amp; spectrometers</md:name>
</md:term>
</md:method>
<md:PI id="col6.ds15946351.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>spectrometer after pyrolysis; mUr SMOW</md:comment>
<md:caption>δ18O SrSO4 [‰ SMOW]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="7" format="0.00" id="col7.ds15946352" source="data" type="numeric">
<md:parameter id="col7.ds15946352.param72">
<md:name>Sulfur, total</md:name>
<md:shortName>TS</md:shortName>
<md:unit>%</md:unit>
<md:term endOffset="6" fragment="1" id="col7.ds15946352.param72.term40685" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>sulfur</md:name>
</md:term>
<md:term endOffset="13" fragment="2" id="col7.ds15946352.param72.term38253" startOffset="8" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>total</md:name>
<md:URI>https://www.oxforddictionaries.com/definition/american_english/total</md:URI>
</md:term>
<md:term id="col7.ds15946352.param72.term43794" semanticURI="http://qudt.org/1.1/vocab/quantity#DimensionlessRatio" terminologyId="13" terminologyLabel="PAN-Quantity">
<md:name>Dimensionless Ratio</md:name>
<md:optionalName>ψ</md:optionalName>
</md:term>
</md:parameter>
<md:method id="col7.ds15946352.method7650">
<md:name>Element analyser CS, LECO CS-4444</md:name>
<md:term id="col7.ds15946352.method7650.term67625" terminologyId="3" terminologyLabel="PAN-M&amp;D">
<md:name>Chemical property sensors</md:name>
</md:term>
<md:term id="col7.ds15946352.method7650.term2299468" semanticURI="SDN:L05::LAB01" terminologyId="21" terminologyLabel="NERC-L05-L22">
<md:name>elemental analysers</md:name>
<md:URI>http://vocab.nerc.ac.uk/collection/L05/current/LAB01/</md:URI>
</md:term>
</md:method>
<md:PI id="col7.ds15946352.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>dwt</md:comment>
<md:caption>TS [%]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="8" format="0.0" id="col8.ds15946353" source="data" type="numeric">
<md:parameter id="col8.ds15946353.param2828">
<md:name>δ34S, total</md:name>
<md:shortName>δ34S tot</md:shortName>
<md:unit>‰ CDT</md:unit>
<md:term endOffset="4" fragment="1" id="col8.ds15946353.param2828.term1073094" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>δ34S</md:name>
<md:URI>http://en.wikipedia.org/wiki/List_of_elements_by_stability_of_isotopes</md:URI>
</md:term>
<md:term endOffset="11" fragment="2" id="col8.ds15946353.param2828.term38253" startOffset="6" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>total</md:name>
<md:URI>https://www.oxforddictionaries.com/definition/american_english/total</md:URI>
</md:term>
</md:parameter>
<md:method id="col8.ds15946353.method19328">
<md:name>Combustion isotope-ratio mass spectrometry (C-IRMS), MAT252, Thermo Finnigan; coupled with an elemental analyzer, Carlo Erba; via a Conflo II split interface, Thermo Finnigan</md:name>
<md:term id="col8.ds15946353.method19328.term4047532" semanticURI="SDN:L22::TOOL2215" terminologyId="21" terminologyLabel="NERC-L05-L22">
<md:name>Thermo Finnigan {Thermo Fisher Scientific} MAT 252 isotope ratio mass spectrometer</md:name>
<md:URI>http://vocab.nerc.ac.uk/collection/L22/current/TOOL2215/</md:URI>
</md:term>
</md:method>
<md:PI id="col8.ds15946353.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>mUr CDT</md:comment>
<md:caption>δ34S tot [‰ CDT]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="9" format="0.0" id="col9.ds15946354" source="data" type="numeric">
<md:parameter id="col9.ds15946354.param81">
<md:name>Strontium</md:name>
<md:shortName>Sr</md:shortName>
<md:unit>mg/kg</md:unit>
<md:term endOffset="9" fragment="1" id="col9.ds15946354.param81.term40663" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>strontium</md:name>
</md:term>
</md:parameter>
<md:method id="col9.ds15946354.method19331">
<md:name>Atomic absorption spectroscopy (AAS), PerkinElmer, 400</md:name>
<md:term id="col9.ds15946354.method19331.term2299432" semanticURI="SDN:L05::LAB10" terminologyId="21" terminologyLabel="NERC-L05-L22">
<md:name>atomic absorption spectrometers</md:name>
<md:URI>http://vocab.nerc.ac.uk/collection/L05/current/LAB10/</md:URI>
</md:term>
</md:method>
<md:PI id="col9.ds15946354.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>spectroscopy after acid extraction</md:comment>
<md:caption>Sr [mg/kg]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="10" format="0.0" id="col10.ds15946355" source="data" type="numeric">
<md:parameter id="col10.ds15946355.param102572">
<md:name>Magnesium</md:name>
<md:shortName>Mg</md:shortName>
<md:unit>mg/kg</md:unit>
<md:term endOffset="9" fragment="1" id="col10.ds15946355.param102572.term40665" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>magnesium</md:name>
</md:term>
</md:parameter>
<md:method id="col10.ds15946355.method19331">
<md:name>Atomic absorption spectroscopy (AAS), PerkinElmer, 400</md:name>
<md:term id="col10.ds15946355.method19331.term2299432" semanticURI="SDN:L05::LAB10" terminologyId="21" terminologyLabel="NERC-L05-L22">
<md:name>atomic absorption spectrometers</md:name>
<md:URI>http://vocab.nerc.ac.uk/collection/L05/current/LAB10/</md:URI>
</md:term>
</md:method>
<md:PI id="col10.ds15946355.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
</md:PI>
<md:comment>spectroscopy after acid extraction</md:comment>
<md:caption>Mg [mg/kg]</md:caption>
</md:matrixColumn>
<md:matrixColumn col="11" format="0" id="col11.ds15946356" source="data" type="numeric">
<md:parameter id="col11.ds15946356.param24619">
<md:name>Manganese</md:name>
<md:shortName>Mn</md:shortName>
<md:unit>mg/kg</md:unit>
<md:term endOffset="9" fragment="1" id="col11.ds15946356.param24619.term38521" semanticURI="http://purl.obolibrary.org/obo/CHEBI_18291" startOffset="0" terminologyId="18" terminologyLabel="PAN-MicroBio">
<md:name>manganese</md:name>
<md:optionalName>Mn</md:optionalName>
<md:URI>https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18291</md:URI>
</md:term>
</md:parameter>
<md:method id="col11.ds15946356.method19331">
<md:name>Atomic absorption spectroscopy (AAS), PerkinElmer, 400</md:name>
<md:term id="col11.ds15946356.method19331.term2299432" semanticURI="SDN:L05::LAB10" terminologyId="21" terminologyLabel="NERC-L05-L22">
<md:name>atomic absorption spectrometers</md:name>
<md:URI>http://vocab.nerc.ac.uk/collection/L05/current/LAB10/</md:URI>
</md:term>
</md:method>
<md:PI id="col11.ds15946356.pi28867">
<md:lastName>Böttcher</md:lastName>
<md:firstName>Michael Ernst</md:firstName>
<md:eMail>michael.boettcher@io-warnemuende.de</md:eMail>
<md:orcid>0000-0002-8877-0303</md:orcid>
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