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High Pressure Single Crystal Diffraction at PX^2
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High Pressure Single Crystal Diffraction at PX^2.

Dongzhou Zhang1, Przemyslaw K Dera2, Peter J Eng3

  • 1Hawai'i Institute of Geophysics and Planetology, University of Hawai'i at Manoa; dzhang@hawaii.edu.

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|January 25, 2017
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Summary
This summary is machine-generated.

This study details single crystal X-ray diffraction experiments using a diamond anvil cell (DAC) for high-pressure mineral physics. Researchers successfully determined the crystal structure of omphacite at 0.35 GPa.

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Area of Science:

  • Mineral Physics
  • Crystallography
  • High-Pressure Science

Background:

  • Single crystal X-ray diffraction is crucial for determining mineral structures under extreme conditions.
  • Diamond Anvil Cells (DACs) enable the generation of high pressures necessary for these studies.
  • Standardized procedures are needed for reliable high-pressure crystallographic experiments.

Purpose of the Study:

  • To outline detailed procedures for single crystal X-ray diffraction experiments using a DAC.
  • To present a case study on collecting and analyzing diffraction data from omphacite at high pressure.
  • To establish a methodology for high-pressure crystallographic studies at the GSECARS 13-BM-C beamline.

Main Methods:

  • Utilized BX-90 type DACs with conical anvils and noble gas pressure media for hydrostatic conditions.
  • Employed the MARCCD area detector calibrated with LaB6 for data collection.
  • Analyzed diffraction data using ATREX and indexed/refined structures with RSV software.

Main Results:

  • Successfully collected single crystal diffraction data from an omphacite sample at 0.35 GPa.
  • Determined the crystal structure to be monoclinic with P2/n space group.
  • Obtained precise lattice parameters: a = 9.496 ±0.006 Å, b = 8.761 ±0.004 Å, c = 5.248 ±0.001 Å, β = 105.06 ±0.03º.

Conclusions:

  • The described procedures are effective for high-pressure single crystal X-ray diffraction.
  • The study provides a refined crystal structure of omphacite at 0.35 GPa.
  • This work contributes to the Partnership for Extreme Xtallography (PX^2) project.