X-ray diffraction data on Fe-alloys collected at PETRA III in 2022

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/).

Date (Creation): 2026-03-04

Citation identifier: http://data.bgs.ac.uk/id/dataHolding/13608652

Point of contact

Organisation name	Individual name	Electronic mail address	Role
University of Edinburgh	Tetsuya Komabayashi	not available	Originator
University of Edinburgh	Damien Freitas	not available	Originator
University of Edinburgh	Mark Robertson	not available	Originator
University of Edinburgh	Emiko Sugimura-Komabayashi	not available	Originator
British Geological Survey	Enquiries	not available	Distributor
British Geological Survey	Enquiries	not available	Point of contact

Maintenance and update frequency: notApplicable

GEMET - INSPIRE themes, version 1.0

Geology

BGS Thesaurus of Geosciences

Earth core
Mineral physics
X ray diffraction

dataCentre

Keywords

NERC_DDC

Access constraints: Other restrictions

Other constraints: licenceOGL

Other constraints: Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"

Use constraints: Other restrictions

Other constraints: 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.

Other constraints: Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"

Language: English

Topic category

Geoscientific information

Begin date: 2022-10-29

End date: 2022-10-31

Reference System Information

No information provided.

Distribution format

Name	Version

Distributor contact

Organisation name	Individual name	Electronic mail address	Role
British Geological Survey	Enquiries	not available	Distributor

OnLine resource

Protocol	Linkage	Name
WWW:DOWNLOAD-1.0-http--download	https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item191708	Data

OnLine resource

Protocol	Linkage	Name
WWW:LINK-1.0-http--related	https://doi.org/10.5285/70e4139d-6376-45b8-a024-e133a47bfb98	Citation Information - Digital Object Identifier (DOI)

Hierarchy level: Non geographic dataset

Other: non geographic dataset

Conformance result

Title: INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology

Date (Publication): 2011

Explanation: See the referenced specification

Pass: No

Conformance result

Title: 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