Modulated and disordered phases in the system LiCdVO4-LiCd 4(VO4)3

E. Gaudin, Hamdi Yahia, F. J. Zúñiga, J. M. Pérez-Mato, J. Darriet

Research output: Contribution to journalArticle

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Abstract

A solid solution (1 - x)LiCdVO4 - xLi1/3Cd 1/31/3CdVO4 has been observed for 0 ≤ x ≤ 1. From the cell parameters evolution, two domains of the solid solution have been distinguished with a discontinuity at x ≈ 0.6. The first one for 0 ≤ x ≤ 0.6 corresponds to the LiCdVO4 substructure of the Na2CrO4-type. For 0.75 ≤ x ≤ 1 satellite peaks are observed which correspond to a modulated structure. The first end-member LiCdVO4 (x = 0) crystallizes in Cmcm space group with a = 5.911, b = 8.975, and c = 6.513 Å. The structure consists of infinite edge-sharing chains of [CdO6] octahedra linked together by [VO4] tetrahedra and [LiO4] tetrahedra. According to the general formula Li1-2x/3Cdx/3x/3CdVO4 of the solid solution, when x increases cadmium replaces lithium in the [LiO 4] tetrahedra leading to [(Li/Cd/□)O4] disordered tetrahedra. All the phases in the domain 0.7 ≤ x ≤ 1 are one-dimensionally modulated with wavevector q = γc* and γ values of 0.75, 0.733, and 0.722 for x = 3/4, 6/7, and 9/10, respectively. The superspace group is Xmcm(00γ) where X stands for (1/2, 1/2, 0, 1/2) centering. The main structural result is a strong occupation modulation of lithium and cadmium in the tetrahedral site.

Original languageEnglish
Pages (from-to)2436-2447
Number of pages12
JournalChemistry of Materials
Volume17
Issue number9
DOIs
Publication statusPublished - 3 May 2005
Externally publishedYes

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Solid solutions
Cadmium
Lithium
Modulation
Satellites

ASJC Scopus subject areas

  • Materials Chemistry
  • Materials Science(all)

Cite this

Gaudin, E., Yahia, H., Zúñiga, F. J., Pérez-Mato, J. M., & Darriet, J. (2005). Modulated and disordered phases in the system LiCdVO4-LiCd 4(VO4)3. Chemistry of Materials, 17(9), 2436-2447. https://doi.org/10.1021/cm050104e

Modulated and disordered phases in the system LiCdVO4-LiCd 4(VO4)3. / Gaudin, E.; Yahia, Hamdi; Zúñiga, F. J.; Pérez-Mato, J. M.; Darriet, J.

In: Chemistry of Materials, Vol. 17, No. 9, 03.05.2005, p. 2436-2447.

Research output: Contribution to journalArticle

Gaudin, E, Yahia, H, Zúñiga, FJ, Pérez-Mato, JM & Darriet, J 2005, 'Modulated and disordered phases in the system LiCdVO4-LiCd 4(VO4)3', Chemistry of Materials, vol. 17, no. 9, pp. 2436-2447. https://doi.org/10.1021/cm050104e
Gaudin, E. ; Yahia, Hamdi ; Zúñiga, F. J. ; Pérez-Mato, J. M. ; Darriet, J. / Modulated and disordered phases in the system LiCdVO4-LiCd 4(VO4)3. In: Chemistry of Materials. 2005 ; Vol. 17, No. 9. pp. 2436-2447.
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AB - A solid solution (1 - x)LiCdVO4 - xLi1/3Cd 1/3□1/3CdVO4 has been observed for 0 ≤ x ≤ 1. From the cell parameters evolution, two domains of the solid solution have been distinguished with a discontinuity at x ≈ 0.6. The first one for 0 ≤ x ≤ 0.6 corresponds to the LiCdVO4 substructure of the Na2CrO4-type. For 0.75 ≤ x ≤ 1 satellite peaks are observed which correspond to a modulated structure. The first end-member LiCdVO4 (x = 0) crystallizes in Cmcm space group with a = 5.911, b = 8.975, and c = 6.513 Å. The structure consists of infinite edge-sharing chains of [CdO6] octahedra linked together by [VO4] tetrahedra and [LiO4] tetrahedra. According to the general formula Li1-2x/3Cdx/3□x/3CdVO4 of the solid solution, when x increases cadmium replaces lithium in the [LiO 4] tetrahedra leading to [(Li/Cd/□)O4] disordered tetrahedra. All the phases in the domain 0.7 ≤ x ≤ 1 are one-dimensionally modulated with wavevector q = γc* and γ values of 0.75, 0.733, and 0.722 for x = 3/4, 6/7, and 9/10, respectively. The superspace group is Xmcm(00γ) where X stands for (1/2, 1/2, 0, 1/2) centering. The main structural result is a strong occupation modulation of lithium and cadmium in the tetrahedral site.

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