4ca9a3e7-889a-585b-e063-3050940a4a99 English nonGeographicDataset non geographic dataset British Geological Survey +44 115 936 3100 Environmental Science Centre,Keyworth NOTTINGHAM NOTTINGHAMSHIRE NG12 5GG United Kingdom enquiries@bgs.ac.uk pointOfContact 2026-04-29 UK GEMINI 2.3 http://data.bgs.ac.uk/id/dataHolding/13608652 X-ray diffraction data on Fe-alloys collected at PETRA III in 2022 2026-03-04 creation http://data.bgs.ac.uk/id/dataHolding/13608652 his dataset contains the raw X-Ray diffraction (XRD) data for Fe-alloys samples, which were collected as part of beametime at the P02.2. synchrotron beamline of PETRA III in 2022. PETRA III is a high brilliance 3rd Generation Synchrotron Radiation Source at Deutsches Elektronen-Synchrotron (DESY) research centre in Hamburg, Germany. The data was collected to identify the crystal structure of the samples and the pressure dependence of unit-cell volume. The data were collected by Tetsuya Komabayashi, Emiko Sugimura-Komabayashi, Damien Freitas, Mark Robertson (University of Edinburgh) who retain the original data. These are raw data which support the manuscript Sulfur-bearing hcp iron for Earth’s inner core. The XRD image files (.tiff) can be opened with a software such as Dioptas (https://www.clemensprescher.com/programs/dioptas) and FIT2D (https://www.esrf.fr/computing/scientific/FIT2D/). Tetsuya Komabayashi University of Edinburgh not available originator Damien Freitas University of Edinburgh not available originator Mark Robertson University of Edinburgh not available originator Emiko Sugimura-Komabayashi University of Edinburgh not available originator Enquiries British Geological Survey United Kingdom not available distributor Enquiries British Geological Survey United Kingdom not available pointOfContact notApplicable https://resources.bgs.ac.uk/images/geonetworkThumbs/4ca9a3e7-889a-585b-e063-3050940a4a99.png Geology GEMET - INSPIRE themes, version 1.0 2008-06-01 publication Earth core Mineral physics X ray diffraction BGS Thesaurus of Geosciences 2022 revision NGDC Deposited Data Citable Data dataCentre NERC_DDC otherRestrictions licenceOGL Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]" otherRestrictions The copyright of materials derived from the British Geological Survey's work is vested in the Natural Environment Research Council [NERC]. No part of this work may be reproduced or transmitted in any form or by any means, or stored in a retrieval system of any nature, without the prior permission of the copyright holder, via the BGS Intellectual Property Rights Manager. Use by customers of information provided by the BGS, is at the customer's own risk. In view of the disparate sources of information at BGS's disposal, including such material donated to BGS, that BGS accepts in good faith as being accurate, the Natural Environment Research Council (NERC) gives no warranty, expressed or implied, as to the quality or accuracy of the information supplied, or to the information's suitability for any use. NERC/BGS accepts no liability whatever in respect of loss, damage, injury or other occurence however caused. Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]" English geoscientificInformation 2022-10-29 2022-10-31 Enquiries British Geological Survey United Kingdom not available distributor https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item191708 WWW:DOWNLOAD-1.0-http--download Data download https://doi.org/10.5285/70e4139d-6376-45b8-a024-e133a47bfb98 WWW:LINK-1.0-http--related Citation Information - Digital Object Identifier (DOI) Komabayashi, T., Sugimura-Komabayashi, E., Freitas, D., Robertson, M. (2026). X-ray diffraction data on Fe-alloys collected at PETRA III in 2022. NERC EDS National Geoscience Data Centre. (Dataset). https://doi.org/10.5285/70e4139d-6376-45b8-a024-e133a47bfb98 information nonGeographicDataset non geographic dataset INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology 2011 publication See the referenced specification false Commission Regulation (EU) No 1089/2010 of 23 November 2010 implementing Directive 2007/2/EC of the European Parliament and of the Council as regards interoperability of spatial data sets and services 2010-12-08 publication See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF false In-situ synchrotron X-ray diffraction experiments were conducted at P02.2 beamline at PETRA III, DESY.