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Updated: May 12, 2025

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CaCu1.424Fe0.576Si2.

Yangkun Dai1, Yibo Liu1, Marek Mihalkovic2

  • 1State Key Laboratory of Metastable Materials Science and Technology Yanshan University,Qinhuangdao 066004 People's Republic of China.

Iucrdata
|May 8, 2025
PubMed
Summary
This summary is machine-generated.

A novel CaCuFeSi phase was synthesized under high pressure. This new material crystallizes in the I4/mmm space group and shows co-occupancy of copper and iron atoms.

Keywords:
Cu-Fe co-occupationcrystal structurehigh-pressure sinter­inginter­metallic

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Area of Science:

  • Materials Science
  • Solid State Chemistry
  • Crystallography

Background:

  • Quasicrystals and related intermetallic phases are of significant interest due to their unique properties.
  • Previous research has identified related Ca-Cu-Si and Ca-Fe-Si phases with known crystal structures.

Purpose of the Study:

  • To synthesize and characterize a new phase formed during high-pressure sintering of an Si-rich quasicrystal prealloy.
  • To determine the crystal structure and atomic arrangement of the newly obtained phase.

Main Methods:

  • High-pressure sintering of a Si61Cu30Ca7Fe2 prealloy.
  • X-ray diffraction analysis to determine the crystal structure and lattice parameters.
  • Refinement of site occupancy factors for co-occupying atoms.

Main Results:

  • A new phase, CaCu1.424Fe0.576Si2, was successfully synthesized.
  • The phase crystallizes in the I4/mmm space group with lattice parameters a = b = 4.041 Å and c = 10.010 Å.
  • Copper and iron atoms exhibit co-occupancy on specific crystallographic sites with a ratio of approximately 0.71:0.29.

Conclusions:

  • The synthesized CaCuFeSi phase is isotypic with known CaCu2Si2 and CaFe2Si2 compounds.
  • The co-occupancy of Cu and Fe atoms is a key feature of this new phase.
  • This finding contributes to the understanding of phase formation in Si-rich transition metal systems under high pressure.