Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH

Alexei A. Belik, Panče Naumov, Jungeun Kim, Shunsuke Tsuda

Research output: Contribution to journalArticlepeer-review


Low-temperature structural properties of the synthetic mineral libethenite Cu2PO4OH were investigated by single-crystal X-ray diffraction, synchrotron X-ray powder diffraction, specific heat measurements, and Raman spectroscopy. A second-order structural phase transition from the Pnnm symmetry (a=8.0553(8) Å, b=8.3750(9) Å, c=5.8818(6) Å at 180 K) to the P21/n symmetry (a=8.0545(8) Å, b=8.3622(9) Å, c=5.8755(6) Å, β=90.0012(15) at 120 K) was found at 160 K during cooling. At 120 K, the monoclinic angle is 90.0012(15) from single crystal X-ray data vs 90.083(1) from powder X-ray diffraction data. The P2 1/ntoPnnm transition may be a general feature of the adamite-type compounds, M2XO4OH.

Original languageEnglish (US)
Pages (from-to)3128-3133
Number of pages6
JournalJournal of Solid State Chemistry
Issue number11
StatePublished - Nov 2011


  • Adamite family
  • Crystal structure
  • Mineral libethenite
  • Single crystal
  • Specific heat

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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