High-pressure polymorph of Co3P2O8: phase transition to an olivine-related structure

Author:

Turnbull Robin1ORCID,Sánchez Martín Josu1ORCID,Liang Akun12ORCID,Díaz-Anichtchenko Daniel1ORCID,Popescu Catalin3ORCID,Sandeep Rao K.4ORCID,Achary S. Nagabhusan4ORCID,Muñoz Alfonso5ORCID,Panchal Vinod6,Errandonea Daniel1ORCID

Affiliation:

1. Departamento de Física Aplicada-ICMUV, Universidad de Valencia, Dr Moliner 50, Burjassot, 46100 Valencia, Spain

2. Centre for Science at Extreme Conditions and School of Physics and Astronomy, University of Edinburgh, EH9 3FD Edinburgh, UK

3. CELLS-ALBA Synchrotron Light Facility, Cerdanyola del Vallès, 08290 Barcelona, Spain

4. Chemistry Division, Bhabha Atomic Research Centre (BARC), Trombay, Mumbai 400 085, India

5. Departamento de Física, MALTA-Consolider Team, Universidad de La Laguna, San Cristóbal de La Laguna, E-38200 Tenerife, Spain

6. Department of Physics, Royal College, Mumbai 401107, India

Abstract

We used synchrotron XRD measurements and density-functional theory calculations to unravel the high-pressure properties of Co3P2O8. Co3P2O8 undergoes a phase transition at 2.9 GPa to an olivine-type structure.

Funder

Ministerio de Ciencia, Innovación y Universidades

Generalitat Valenciana

Publisher

Royal Society of Chemistry (RSC)

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