ISIS Neutron and Muon Source Data Journal

Understanding deep-Earth mineralogy: The crystal structure of CaSiO3 perovskite

Abstract: CaSiO3 perovskite is the third most abundant mineral in the Earth's lower mantle (below 670 km). It also occurs as a major phase at lower pressures and temperatures in subduction zones, where, for example, it may form ~25 wt% of subducted mid-ocean ridge basalt. The crystal structure, ferroelastic phase transitions, elastic properties and equation of state of CaSiO3 perovskite are, therefore, of great significance for the interpretation of seismological data. The phase diagram of CaSiO3 perovskite is currently in a state of utter confusion; computer simulations and experimental studies disagree widely, both as to the symmetry of the various phases and the P/T conditions under which they occur. We propose to use HRPD to make an accurate structure determination of metastable CaSiO3 perovskite at atmospheric pressure and 4 K, so as to constrain future computer simulations of the material.

Principal Investigator: Professor Ian Wood
Experimenter: Professor John Brodholt
Experimenter: Dr Edward Bailey
Experimenter: Professor David Dobson
Experimenter: Dr Alex Lindsay-Scott
Experimenter: Professor Lidunka Vocadlo
Local Contact: Dr Kevin Knight
Experimenter: Dr Andrew Thomson
Local Contact: Dr Kevin Knight

DOI: 10.5286/ISIS.E.RB1410167

ISIS Experiment Number: RB1410167

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Ian Wood et al; (2016): Understanding deep-Earth mineralogy: The crystal structure of CaSiO3 perovskite, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1410167

Data is released under the CC-BY-4.0 license.