/* DATA DESCRIPTION:
Citation:	Böttcher, Michael Ernst; Parafiniuk, Jan (2026): Stable isotope and trace element composition of methane-derived carbonates, elemental sulfur, and celestite from the Machów native sulfur deposit [dataset]. PANGAEA, https://doi.pangaea.de/10.1594/PANGAEA.995700 (DOI registration in progress)
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 & Parafiniuk (1998) in the journal Isotopes in Environmental & Health Studies.
Keyword(s):	aragonite; Calcite; celestite; methane oxidation; Native sulfur deposit; Oxygen and carbon stable isotopes; Sulfur isotopes
Related to:	Böttcher, Michael Ernst; Parafiniuk, Jan (1998): Methane-Derived Carbonates in a Native Sulfur Deposit: Stable Isotope and Trace Element Discriminations Related to the Transformation of Aragonite to Calcite. Isotopes in Environmental and Health Studies, 34(1-2), 177-190, https://doi.org/10.1080/10256019708036345
Coverage:	LATITUDE: 50.533300 * LONGITUDE: 21.783300
	DATE/TIME START: 1981-01-01T00:00:00 * DATE/TIME END: 1985-12-31T00:00:00
Event(s):	1981-1985_Machow_sulfur_mine * LATITUDE: 50.533300 * LONGITUDE: 21.783300 * DATE/TIME START: 1981-01-01T00:00:00 * DATE/TIME END: 1985-12-31T00:00:00
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.
Parameter(s):	Sample ID (Sample ID) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de)
	Solid phases (Solid phases) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Quantitative phase-analysis with x-ray powder diffraction, Philips * COMMENT: MW-7: further Infrared spectroscopy (PerkinElmer, 683, KBr pellet technique)
	Calcite [%] (Cal) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de)
	Aragonite [%] (Arg) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de)
	δ13C, carbonate [‰ PDB] (δ13C carb) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Mass spectrometer, Finnigan, MAT 251 * COMMENT: spectrometer after H3PO4 reaction; mUr PDB
	δ18O, carbonate [‰ PDB] (δ18O carb) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Mass spectrometer, Finnigan, MAT 251 * COMMENT: spectrometer after H3PO4 reaction; mUr PDB
	δ18O, Strontium sulfate [‰ SMOW] (δ18O SrSO4) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Mass spectrometer, Finnigan, MAT 251 * COMMENT: spectrometer after pyrolysis; mUr SMOW
	Sulfur, total [%] (TS) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Element analyser CS, LECO CS-4444 * COMMENT: dwt
	δ34S, total [‰ CDT] (δ34S tot) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: 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 * COMMENT: mUr CDT
	Strontium [mg/kg] (Sr) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Atomic absorption spectroscopy (AAS), PerkinElmer, 400 * COMMENT: spectroscopy after acid extraction
	Magnesium [mg/kg] (Mg) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Atomic absorption spectroscopy (AAS), PerkinElmer, 400 * COMMENT: spectroscopy after acid extraction
	Manganese [mg/kg] (Mn) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Atomic absorption spectroscopy (AAS), PerkinElmer, 400 * COMMENT: spectroscopy after acid extraction
	Barium [mg/kg] (Ba) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Inductively coupled plasma–optical emission spectrometer (ICP-OES), ARL, 35000 C * COMMENT: spectroscopy after acid extraction
	Sodium [mg/kg] (Na) * PI: Böttcher, Michael Ernst (https://orcid.org/0000-0002-8877-0303, michael.boettcher@io-warnemuende.de) * METHOD/DEVICE: Atomic absorption spectroscopy (AAS), PerkinElmer, 400 * COMMENT: spectroscopy after acid extraction
License:	Creative Commons Attribution 4.0 International (CC-BY-4.0) (URI: https://creativecommons.org/licenses/by/4.0/)
Status:	Curation Level: Enhanced curation (URI: https://wiki.pangaea.de/wiki/Curation_levels) * Processing Level: PANGAEA data processing level 3 (URI: https://wiki.pangaea.de/wiki/Processing_levels#PANGAEA_data_processing_level_3)
Size:	183 data points
*/
Sample ID	Solid phases	Cal [%]	Arg [%]	δ13C carb [‰ PDB]	δ18O carb [‰ PDB]	δ18O SrSO4 [‰ SMOW]	TS [%]	δ34S tot [‰ CDT]	Sr [mg/kg]	Mg [mg/kg]	Mn [mg/kg]	Ba [mg/kg]	Na [mg/kg]
MA-21	calcite, aragonite, elemental sulfur	30	70.0	-41.5	-5.9		0.00		7200.0	400.0	70	8.0	1250.0
MA-22	calcite, aragonite, elemental sulfur	40	60.0	-42.7	-4.8		0.00		7180.0	430.0	<10	4.0	1610.0
MA-24	calcite, aragonite, elemental sulfur	30	70.0	-42.2	-5.2		1.35	10.2	6820.0	580.0	130	15.0	1240.0
MA-25	calcite,elemental sulfur	100	0.0	-45.6	-4.5		0.16	10.5	1350.0	2720.0	80	4.0	360.0
MA-26	calcite, aragonite, elemental sulfur	40	60.0	-42.0	-5.3		0.29	11.1	6230.0	720.0	950	6.0	1450.0
MA-27	calcite,elemental sulfur	100	0.0	-44.1	-4.4		0.21	10.0	6890.0	2500.0	<10	57.0	300.0
MA-28	calcite, aragonite, elemental sulfur	20	80.0	-43.0	-4.5		0.00		7530.0	150.0	20	5.0	2080.0
MA-29	calcite, aragonite, elemental sulfur	70	30.0	-42.4	-5.3		0.16	10.7	5990.0	960.0	80	4.0	1120.0
MA-30	calcite, aragonite, elemental sulfur	40	60.0	-42.3	-5.1		0.00		6400.0	680.0	40	4.0	1620.0
MA-31	calcite, aragonite, elemental sulfur	10	90.0	-43.3	-4.5		0.26	11.1	7070.0	370.0	160	8.0	1880.0
MA-32	calcite, aragonite, elemental sulfur	60	40.0	-43.5	-4.4		0.14	10.7	5160.0	2070.0	10	14.0	600.0
MK-30	calcite, elemental sulfur	100	0.0	-43.8	-4.3		0.01	15.3	400.0	2770.0	1510	2.0	110.0
MK-31	calcite, elemental sulfur	100	0.0	-46.8	-4.4		0.36	11.9	500.0	3360.0	190	3.0	390.0
MW-7	calcite, elemental sulfur, less crystalline siliclastic material	100	0.0	-42.5	-3.9		16.40	12.0	260.0	2790.0	290	7.0	1230.0
SrSO4	celestite					19.8	17.50	59.0