Skip to main content Accessibility help

Neutron powder diffraction data for low- and high-temperature NASICON phases of LiM2(PO4)3 (M=Hf, Sn)

  • E. Morin (a1), T. Le Mercier (a1), M. Quarton (a1), E. R. Losilla (a2), M. A. G. Aranda (a2) and S. Bruque (a2)...


The new diffraction patterns of the low- and high-temperature phases of Li0.87Hf2.032(PO4)3 and LiSn2(PO4)3 are given and indexed on the basis of a structure refinement from neutron powder data using Rietveld method. The two isotypic compounds present a reversible phase transition: triclinic (LT, space group P1¯) ⇄ rhombohedral (HT, space group Rc) which proceeds by topotactic distortion of the structural skeleton.



Hide All
Alami, M., Brochu, R., Soubeyroux, J. L., Gravereau, P., Le Flem, G., and Hagenmuller, P. (1991). “Structure and thermal expansion of LiGe 2(PO 4)3,J. Solid State Chem. 90, 185193.
Angenault, J., Couturier, J. C., Souron, J. P., Siliqi, D., and Quarton, M. (1992). “The martensitic nature of the transition monoclinic⇄rhombohedral of LiSn 2(PO 4)3,J. Mater. Sci. Lett. 11, 17051707.
Aono, H., Sugimoto, E., Sadaoka, Y., Imanaka, N., and Adaki, G. (1993). “Electrical properties and crystal structure of solid electrolyte based on lithium hafnium phosphate LiHf 2(PO 4)3,Solid State Ionics 62, 309316.
Boilot, J. P., Collin, G., and Colomban, P. (1988). “Relation structure-fast ion conduction in the NASICON solid solution,” J. Solid State Chem. 73, 160171.
Delmas, C., Nadini, A., and Soubeyroux, J. L. (1988). “The NASICON-type titanium phosphates ATi 2(PO 4)3 (A=Li, Na) as electrode materials,” Solid State Ionics 28–30, 419423.
de Wolff, P. M. (1968). “A simplified criterion for the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 1, 108109.
Goodenough, J. B., Hong, H. Y. P., and Kafalas, J. A. (1976). “Fast Na +-ion transport in skeleton structures,” Mater. Res. Bull. 11, 203220.
Hagman, L. O., and Kierkegaard, P. (1968). “The crystal structure of NaMe 2(PO 4)3; Me IV=Ge, Ti, Zr,” Acta Chem. Scand. 22, 18221832.
Hong, H. Y-P. (1976). “Crystal Structure and Crystal Chemistry in the Na 1+xZr 2Si xP 3−xO 12,Mater. Res. Bull. 11, 173182.
Kuwano, J., Sato, N., Kato, M., and Takano, K. (1994). “Ionic conductivity of LiM 2(PO 4)3 (M=Ti, Zr, Hf) and related compositions,” Solid State Ionics 70–71, 332336.
Larson, A. C., and von Dreele, R. B. (1994). GSAS (Program version: PC, summer 96) Report N° LA-UR-86-748, Los Alamos National Laboratory.
Losilla, E. R., Aranda, M. G., Martínez-Lara, M., and Bruque, S. (1997). “Reversible triclinic-rhombohedral phase transition in LiHf 2(PO 4)3: Crystal structure from neutron powder diffraction,” Chem. Mater. 9, 16781685.
Martínez, A., Rojo, J. M., Iglesias, J. E., Sanz, J., and Rojas, R. M. (1994). “Formation process of LiSn 2(PO 4)3, a monoclinically distorted NASICON-type structure,” Chem. Mater. 6, 17901795.
Martínez-Juarez, A., Rojo, J. M., Iglesias, J. E., and Sanz, J. (1995). “Reversible monoclinic-rhombohedral transformation in LiSn 2(PO 4)3 with NASICON-type structure,” Chem. Mater. 7, 18571862.
Mighell, A. D., Hubbard, C. R., and Stalick, J. C. (1981). NBS*AIDS 83 is a development of “NBS*AIDS 80, A FORTRAN Program for Crystallographic Data Evaluation,” National Bureau of Standards (U.S.), Technical Note N° 1141.
Morin, E., Angenault, J., Couturier, J. C., Quarton, M., He, H., and Klinowski, J. (1997). “Phase transition of LiSn 2(PO 4)3,Eur. J. Solid State Inorg. Chem. 36, 947958.
Petit, D., Colomban, P., Collin, G., and Boilot, J. P. (1986). “Ionic mobility and phase transitions in LiZr 2(PO 4)3,Mater. Res. Bull. 21, 365371.
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr. 2, 6571.
Rodriguez-Carjaval, J. (1995). FULLPROF, Rietveld profile matching and integrated intensity refinement of X-ray and/or neutron data, Version 3.1.c, Laboratoire Léon Brillouin, CEA, Saclay, France.
Sanz, J., Rojo, J. M., Jimérez, R., Iglesias, J. E., and Alamo, J. (1993). “Stabilization of the rhombohedral phase in LiZr 2(PO 4)3 by thermal quenching,” Solid State Ionics 62, 287292.
Smith, G. J., and Snyder, R. L. (1979). “F N: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 12, 6065.
Sudreau, F., Petit, D., and Boilot, J. P. (1989). “Dimorphism, phase transitions and transport properties in LiZr 2(PO 4)3,J. Solid State Chem. 83, 7890.
Wiles, D., and Young, R. (1981). “A new computer program for Rietveld analysis of X-ray powder diffraction patterns,” J. Appl. Crystallogr. 14, 149151.
Winand, J. M., Rulmont, A., and Tarte, P. (1991). “Nouvelles solutions solides L(M IV)2−x(N IV)x(PO 4)3 (L=Li, Na; M, N=Ge, Sn, Ti, Zr, Hf). Synthèse et étude par diffraction X et conductivité ioniqué,” J. Solid State Chem. 93, 341349.

Related content

Powered by UNSILO

Neutron powder diffraction data for low- and high-temperature NASICON phases of LiM2(PO4)3 (M=Hf, Sn)

  • E. Morin (a1), T. Le Mercier (a1), M. Quarton (a1), E. R. Losilla (a2), M. A. G. Aranda (a2) and S. Bruque (a2)...


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed.