Abstract
Currently there is ambiguity about the space group of the first high pressure phase of ZrO2. Early Raman spectroscopic measurements on a single crystal in a diamond anvil cell pointed to a structural transformation at 3.5 GPa, and later in-situ X-ray diffraction studies concluded that this structure is orthorhombic with space group Pbcm. From a subsequent analysis of neutron diffraction patterns of ortho-I phase quenched from 6 GPa and 600 °C it was concluded that the space group of this phase is Pbca and not Pbcm. We have re-investigated this using Raman spectroscopy and factor group analysis, and show that the space group indeed is Pbcm and not Pbca.
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Ravindran, T., Yadav, K. Re-examination of high pressure orthorhombic-I phase of ZrO2 by Raman spectroscopy. Eur. Phys. J. B 88, 24 (2015). https://doi.org/10.1140/epjb/e2014-50803-y
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DOI: https://doi.org/10.1140/epjb/e2014-50803-y