Structural changes upon lithium insertion in Ni 0.5TiOPO 4

Rachid Essehli, B. El Bali, A. Faik, S. Benmokhtar, B. Manoun, Y. Zhang, X. J. Zhang, Z. Zhou, H. Fuess

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Nickel titanium oxyphosphate Ni 0.5TiOPO 4 (NTP), was prepared by co-precipitation route. Its structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system, S.G: P2 1/c [a = 7.333(1), b = 7.316(2), c = 7.339(2), β = 119.62(3)°, Z = 4, R 1 = 0.0142, wR 2 = 0.0429]. The structure might be described as a {TiOPO 4} framework made of corner-sharing [TiO 6] octahedra chains running parallel to [0 0 1] and cross linked by phosphate [PO 4] tetrahedral, where half of octahedral cavities created are occupied by Ni atoms, and the other half of octahedral sites are vacant. During the first discharge, the NTP electrode delivered a capacity of 530 mAh/g, upon cycling within 0.5-4 V. To understand the electrochemical reaction mechanism using different characterization techniques viz. in situ synchrotron diffraction. Reciprocal magnetic susceptibility (χ -1) of NTP, between 4 and 300 K, shows an almost linear behavior and can be fitted by the simple Curie-Weiss law.

Original languageEnglish
Pages (from-to)178-185
Number of pages8
JournalJournal of Alloys and Compounds
Publication statusPublished - 25 Jul 2012
Externally publishedYes



  • In situ synchrotron diffraction
  • Lithium ion batteries
  • Magnetic measurements
  • Oxyphosphate

ASJC Scopus subject areas

  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Chemistry
  • Metals and Alloys

Cite this

Essehli, R., El Bali, B., Faik, A., Benmokhtar, S., Manoun, B., Zhang, Y., Zhang, X. J., Zhou, Z., & Fuess, H. (2012). Structural changes upon lithium insertion in Ni 0.5TiOPO 4 Journal of Alloys and Compounds, 530, 178-185.