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Structural phase transitions in CaC2.

M Knapp1, U Ruschewitz

  • 1Technische Universität Darmstadt, Institut für Materialwissenschaft, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|April 6, 2001
PubMed
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Pure calcium carbide (CaC2) was synthesized and its phase diagram studied. Researchers identified four CaC2 modifications, including two new low-temperature and metastable forms, with transition temperatures influenced by crystallite size and purity.

Area of Science:

  • Materials Science
  • Solid State Chemistry
  • Crystallography

Background:

  • Calcium carbide (CaC2) exhibits complex phase behavior.
  • Understanding its different crystalline modifications is crucial for various applications.

Purpose of the Study:

  • To synthesize pure calcium carbide (CaC2) free of CaO impurities.
  • To investigate the CaC2 phase diagram and identify its crystalline modifications.
  • To determine the influence of crystallite size, thermal treatment, and purity on phase transitions.

Main Methods:

  • Synthesis of pure CaC2 via reaction of elemental calcium with graphite at 1,070 K.
  • Laboratory X-ray and synchrotron powder diffraction experiments.
  • Phase diagram investigation across a temperature range of 10 K to 823 K.

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Main Results:

  • Confirmed the existence of four CaC2 modifications, including cubic (CaC2 IV) and tetragonal (CaC2 I) forms.
  • Discovered a new low-temperature modification (CaC2 II) crystallizing in the ThC2 structure type.
  • Identified a metastable modification (CaC2 III) with a novel crystal structure.
  • Demonstrated that phase transition temperatures and modification ratios depend on crystallite size, thermal history, and sample purity.

Conclusions:

  • The study successfully synthesized pure CaC2 and elucidated its complex phase diagram.
  • Two previously unknown CaC2 modifications were characterized, expanding the understanding of its solid-state behavior.
  • The findings highlight the sensitivity of CaC2 phase transitions to sample characteristics, crucial for controlling its properties.