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Compressibility, thermal expansion, and Raman spectroscopy of synthetic whitlockite Ca9Mg(PO3OH)(PO4)6 at high pressures and high temperatures

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Published/Copyright: November 4, 2024
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American Mineralogist
From the journal American Mineralogist Volume 109 Issue 11

Abstract

In situ X-ray diffraction and Raman spectroscopy of a synthetic whitlockite, Ca9Mg(PO3OH) (PO4)6, have been conducted at high pressures or high temperatures. The results show that whitlockite is stable up to ~15 GPa at ambient temperature and undergoes a thermally induced dehydrogenation to merrillite above 973 K at ambient pressure. The obtained pressure-volume data were fitted using a third-order Birch-Murnaghan equation of state, yielding an isothermal bulk modulus of K0 = 79(4) GPa with a pressure derivative of K0′ = 4.3(6). When K0′ was fixed at 4, the refined isothermal bulk modulus was 81(1) GPa. The volumetric thermal expansion coefficient (αV) is 4.05(8) × 10−5 K−1, and the axial thermal expansion coefficients (αa and αc) are 1.07(5) × 10−5 K−1 and 1.91(6) × 10−5 K−1. Both compressibility and thermal expansion show an axial anisotropy. The effects of pressure and temperature on the Raman spectra of whitlockite have been quantitatively analyzed. The isothermal and isobaric mode Grüneisen parameters and the intrinsic anharmonic mode parameters of whitlockite were derived. Some amounts of OH−-bearing whitlockite may be preserved in meteorites if whitlockite undergoes a low-temperature process.

Keywords: Whitlockite; Ca9Mg(PO3OH)(PO4)6; high-pressure; high-temperature; compressibility; thermal expansion; X-ray diffraction; Raman spectroscopy; dehydrogenation

Funding statement: This work was financially supported by the National Natural Science Foundation of China (Grant No. 42120104005), the International Partnership Program of Chinese Academy of Sciences (Grant No. 132852KYSB20200011), and Guizhou Provincial 2021 Science and Technology Subsidies (No. GZ2021SIG). The in-situ synchrotron X-ray diffraction measurements were carried out at the BL15U1 and BL14B1 beamlines of the Shanghai Synchrotron Radiation Facility (Proposal Nos. 2018-SSRF-PT-007075 and 2020-SSRF-PT-012550).

Acknowledgments

The authors thank Sergio Speziale for his editorial handling and helpful comments and suggestions and also appreciate Marina Martinez and Mario Tribaudino for their critical comments and suggestions.

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Received: 2023-06-01
Accepted: 2024-02-07
Published Online: 2024-11-04
Published in Print: 2024-11-26

© 2024 by Mineralogical Society of America

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  11. Compressibility, thermal expansion, and Raman spectroscopy of synthetic whitlockite Ca9Mg(PO3OH)(PO4)6 at high pressures and high temperatures
  12. Experimental determination of tin partitioning between titanite, ilmenite, and granitic melts using improved capsule designs
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https://doi.org/10.2138/am-2023-9084
Keywords for this article
Whitlockite; Ca9Mg(PO3OH)(PO4)6; high-pressure; high-temperature; compressibility; thermal expansion; X-ray diffraction; Raman spectroscopy; dehydrogenation

Articles in the same Issue

  1. Tetrahedral aluminum in tourmaline from a spinel-pargasite-metamorphosed mafic-ultramafic rock
  2. Lorenz number and transport properties of Fe: Implications to the thermal conductivity at Earth’s core-mantle boundary
  3. Structure and equation of state of Ti-bearing davemaoite: New insights into the chemical heterogeneity in the lower mantle
  4. Solfataric alteration at the South Sulfur Bank, Kilauea, Hawaii, as a mechanism for the formation of sulfates, phyllosilicates, and silica on Mars
  5. Plastic deformation and trace element mobility in sphalerite
  6. Crystallographic insights into monovalent thallium incorporation: Exploring hydropyrochlore structure for environmental remediation
  7. Distribution of REE between amphibole and pyroxenes in the lithospheric mantle: An assessment from the lattice strain model
  8. Elastic anomalies across the P21nm→Pnnm structural phase transition in δ-(Al,Fe)OOH
  9. Hyper-enrichment of heavy rare earth elements in highly evolved granites through multiple hydrothermal mobilizations
  10. In-situ zircon and cassiterite LA-ICP-MS geochronology and implications for granite-hosted Sn deposit models and exploration: Insights from the Cameroon Line
  11. Compressibility, thermal expansion, and Raman spectroscopy of synthetic whitlockite Ca9Mg(PO3OH)(PO4)6 at high pressures and high temperatures
  12. Experimental determination of tin partitioning between titanite, ilmenite, and granitic melts using improved capsule designs
  13. Low-temperature crystallization of kumdykolite, a polymorph of albite, during mineral carbonation within fluid inclusions in hornblendite from the Dabie orogen, central China
  14. Louisfuchsite, Ca2(Mg4Ti2)(Al4Si2)O20, a new rhönite-type mineral from the NWA 4964 CK meteorite: A refractory phase from the solar nebula
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