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

Journal Article · Fri May 01 04:00:00 EDT 1987 · Mater. Res. Bull.; (United States)

DOI:https://doi.org/10.1016/0025-5408(87)90116-4· OSTI ID:6116010

Boilot, J P; Collin, G; Colomban, P

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.

• Research Organization: Groupe de Chimie du Solide-Laboratoire de Physique de la Matiere Condensee, Ecole Polytechnique-91128 Palaiseau, Cedex
• OSTI ID: 6116010
• Journal Information: Mater. Res. Bull.; (United States), Journal Name: Mater. Res. Bull.; (United States) Vol. 22:5; ISSN MRBUA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ALKALI METAL COMPOUNDS
CHALCOGENIDES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTAL-PHASE TRANSFORMATIONS
CRYSTALS
MONOCRYSTALS
OXIDES
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PHOSPHORUS COMPOUNDS
PHOSPHORUS OXIDES
QUANTITY RATIO
SILICON COMPOUNDS
SILICON OXIDES
SODIUM COMPOUNDS
SODIUM OXIDES
STRUCTURAL CHEMICAL ANALYSIS
SYMMETRY
TRANSITION ELEMENT COMPOUNDS
ZIRCONIUM COMPOUNDS
ZIRCONIUM OXIDES