Incommensurate crystal structure of LiCd4(VO4) 3

Etienne Gaudin, Hamdi Ben Yahia, Masahiro Shikano, Mongi Ben Amara, Hans Conrad Zur Loye, Jacques Darriet

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Abstract

Single crystals of LiCd4(VO4)3 were prepared by melting a powder sample of LiCd4(VO4) 3 at 950 °C followed by slow cooling at 5 °C/hours down to room temperature. The crystal structure was determined by single crystal X-ray diffraction using the 4D superspace formalism. The superspace group is Cmcm(10γ) with unit cell parameters a = 5.8513(3) Å, b = 9.027(5) Å, c = 6.7721(7) Å and modulation vector q = a + 0.7034c. The LiCd4(VO4)3 structure is related to the Na 2CrO4 structure type, which contains two independent tetrahedral sites that are occupied by sodium and chromium atoms and one octahedral site that is occupied by the second sodium atom. In the LiCd 4(VO4)3 structure, the octahedral site is fully occupied by a cadmium atom, and one of the two tetrahedral sites is fully occupied by a vanadium atom. The second tetrahedral site is only partially filled: one third lithium, one third cadmium and one third vacant. To reflect the site occupancies, the overall formula can be expressed as Li 1/3Cd1/31/3CdVO4. One of the unusual features of the structure is the large anisotropy in the modulated occupancy of the tetrahedral site by lithium and cadmium. Structural relationships with the olivine structure type are discussed.

Original languageEnglish
Pages (from-to)755-762
Number of pages8
JournalZeitschrift fur Kristallographie
Volume219
Issue number11
DOIs
Publication statusPublished - 23 Dec 2004

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Keywords

  • Incommensurate structures
  • Modulated structures
  • Single crystal structure analysis
  • Vanadate
  • X-ray diffraction

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Cite this

Gaudin, E., Ben Yahia, H., Shikano, M., Ben Amara, M., Zur Loye, H. C., & Darriet, J. (2004). Incommensurate crystal structure of LiCd4(VO4) 3. Zeitschrift fur Kristallographie, 219(11), 755-762. https://doi.org/10.1524/zkri.219.11.755.52432