skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/

Abstract

For the first time, the results of single crystal determination of the true Nasicon are given. The structure refinement yielded the following composition: Na/sub 3.09(8)/Zr/sub 2.01(1)/P/sub 0.91/Si/sub 2.09/O/sub 12/. Evidence of the total occupancy of the Zr octahedron is found, displaying that only the Si/P non-stoichiometry mechanism is present in the Nasicon crystal. For the two temperatures which have been investigated (R.T. and 623K), the structures are very close to that of the Nasicon analog: Na/sub 3/Sc/sub 2/P/sub 3/O/sub 12/. However the Si/P substitution prevents the sodium long range ordering even in the monoclinic low temperature phase and therefore the cross over to the rhombohedral symmetry only involves very small atomic displacements. For both structures, a new sodium position (mid-Na) is displayed in the conduction channel, intermediate between the usual Na(1) and Na(2) sites.

Authors:
; ;
Publication Date:
Research Org.:
Groupe de Chimie du Solide-Laboratoire de Physique de la Matiere Condensee, Ecole Polytechnique-91128 Palaiseau, Cedex
OSTI Identifier:
6116010
Resource Type:
Journal Article
Journal Name:
Mater. Res. Bull.; (United States)
Additional Journal Information:
Journal Volume: 22:5
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; PHOSPHORUS OXIDES; CRYSTAL LATTICES; SILICON OXIDES; SODIUM OXIDES; ZIRCONIUM OXIDES; CRYSTAL-PHASE TRANSFORMATIONS; MONOCRYSTALS; QUANTITY RATIO; STRUCTURAL CHEMICAL ANALYSIS; SYMMETRY; ALKALI METAL COMPOUNDS; CHALCOGENIDES; CRYSTAL STRUCTURE; CRYSTALS; OXIDES; OXYGEN COMPOUNDS; PHASE TRANSFORMATIONS; PHOSPHORUS COMPOUNDS; SILICON COMPOUNDS; SODIUM COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; ZIRCONIUM COMPOUNDS; 360602* - Other Materials- Structure & Phase Studies

Citation Formats

Boilot, J P, Collin, G, and Colomban, P. Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/. United States: N. p., 1987. Web. doi:10.1016/0025-5408(87)90116-4.
Boilot, J P, Collin, G, & Colomban, P. Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/. United States. https://doi.org/10.1016/0025-5408(87)90116-4
Boilot, J P, Collin, G, and Colomban, P. 1987. "Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/". United States. https://doi.org/10.1016/0025-5408(87)90116-4.
@article{osti_6116010,
title = {Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/},
author = {Boilot, J P and Collin, G and Colomban, P},
abstractNote = {For the first time, the results of single crystal determination of the true Nasicon are given. The structure refinement yielded the following composition: Na/sub 3.09(8)/Zr/sub 2.01(1)/P/sub 0.91/Si/sub 2.09/O/sub 12/. Evidence of the total occupancy of the Zr octahedron is found, displaying that only the Si/P non-stoichiometry mechanism is present in the Nasicon crystal. For the two temperatures which have been investigated (R.T. and 623K), the structures are very close to that of the Nasicon analog: Na/sub 3/Sc/sub 2/P/sub 3/O/sub 12/. However the Si/P substitution prevents the sodium long range ordering even in the monoclinic low temperature phase and therefore the cross over to the rhombohedral symmetry only involves very small atomic displacements. For both structures, a new sodium position (mid-Na) is displayed in the conduction channel, intermediate between the usual Na(1) and Na(2) sites.},
doi = {10.1016/0025-5408(87)90116-4},
url = {https://www.osti.gov/biblio/6116010}, journal = {Mater. Res. Bull.; (United States)},
number = ,
volume = 22:5,
place = {United States},
year = {1987},
month = {5}
}