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Fe-X-ray Absorption Near Edge Spectroscopy (Fe-XANES) spectra from clinopyroxene powders and crystals with known and unknown Fe3+/FeTotal contents with supporting major element compositions from EPMA and crystal orientation data from EBSD

Publisher
British Geological Survey (BGS)
Updated
28 August 2026
Topic
Not set
Licence
Not set

Summary

Fe-X-ray Absorption Near Edge Spectroscopy (Fe-XANES) spectra from clinopyroxene powders and crystals with known and unknown Fe3+/FeTotal contents with supporting major element compositions from electron probe microanalysis (EPMA) and crystal orientation data from electron backscattered diffraction (EBSD). These data were collected in support of an article titled: 'Estimating Fe valence in magmatic clinopyroxene crystals: Fe-XANES versus electron microprobe'. Clinopyroxene crystals with known Fe3+/FeTotal contents were sourced from collections at the University of Manchester and Manchester Museum, and have been described previously by Neave et al. (2024a; doi: 10.1007/s00410-023-02080-2). Clinopyroxene crystals with known Fe3+/FeTotal contents are from Skuggafjöll (Iceland) and Pico Island (Azores) and have been described previously by Neave et al. (2024b; doi: 10.1007/s00410-024-02144-x). These data were acquired as part of David A. Neave's NERC IRF (NE/T011106/1) between January 2020 and February 2023. Fe-XANES was performed at Diamond Light Source Beamline I18 (SP31428) in February 2023. EPMA was performed at the University of Bristol in Spring 2022. Electron Backscattered Diffraction (EBSD) was performed the University of Liverpool in May 2023. These data were collected to evaluate whether Fe-XANES, which has seen increasingly widespread use for determining Fe valence in isotropic glasses and minerals in recent years, could be routinely used to determine Fe valence in large numbers of anisotropic clinopyroxene crystals. Our motivation stems from ultimately seeking to develop new tools for estimating oxygen fugacity from magmatic clinopyroxene crystals. This work was initially designed to capitalise on two articles on clinopyroxene Fe-XANES that have since been retracted without further comment; we thus present an evaluation that transparently highlights the myriad challenges associated with clinopyroxene Fe-XANES. This repository contains EPMA, Fe-XANES and EBSD data supporting the manuscript; Neave, D. A., Mariani, E., Stewart, A. G., Hartley, M. E., Shorttle, O., & Humphreys, M. C. S. (2026). Estimating Fe valence in magmatic clinopyroxene crystals: Fe-XANES versus electron microprobe. Advances in Geochemistry and Cosmochemistry, 2(1), 1061. https://doi.org/10.33063/agc.v2i1.1061

Data links

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Citation Information - Digital Object Identifier (DOI) 28/8/2026
Data 28/8/2026

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Additional information

Source Metadata
XML, HTML
Date added
28 August 2026
Harvest GUID
4dd9d148-4d05-ee39-e063-3050940a11a6
Dataset reference date (creation)
2026-03-23
Frequency of update
notApplicable
Access 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.
Responsible party
University of Durham (originator); University of Manchester (originator); University of Cambridge (originator); University of Liverpool (originator); British Geological Survey (distributor, pointOfContact)
ISO 19139 resource type
nonGeographicDataset
Metadata language
eng

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