Structural properties in incommensurately modulated spinel compound CuV2S4

Shogo Kawaguchi, Hiroki Ishibashi, Naruki Tsuji, Jungeun Kim, Kenichi Kato, Masaki Takata, Yoshiki Kubota

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5 Citations (Scopus)


We have studied the incommensurate crystal structure of the spinel compound CuV2S4 at low temperatures using the synchrotron powder diffraction technique. The powder diffraction pattern at 70K shows that the splitting of the fundamental 800 reflection peak and the weak superlattice reflections with a modulation vector q ̃ 3/4[110] due to the structural phase transition at 90K were observed. It is found that the crystal structure at 70K has an orthorhombic unit cell with the superspace-group Imm2(0β0) with a modulation vector q = 0.7391(5)b*. By Rietveld analysis including the incommensurate modulation along the b-axis, large static atomic displacements were found at the positions of V atoms, suggesting that V atoms play an important role in a charge-density wave (CDW) transition. The atomic displacements indicate that V1 atoms at the 4c site form dimers along the a-axis, suggesting that a commensurate CDW forms along the a-axis. Furthermore, the V2 atoms at the 4d site tend to approach V1 dimers, giving rise to the formation of V clusters such as trimers and tetramer-like clusters. The arrangements of V clusters form a pattern along the b-axis with a period of nearly four fundamental cells, which may induce the formation of an incommensurate CDW along the b-axis.

Original languageEnglish
Article number064603
JournalJournal of the Physical Society of Japan
Issue number6
Publication statusPublished - 2013 Jun


  • Charge-density wave
  • CuVS
  • Incommensurate structure
  • Spinel
  • Structural analysis
  • X-ray powder diffraction


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