Sodium and oxygen disorder in a scandium-substituted nasicon: A time of flight neutron powder diffraction study of Na2.5Zr1.8Sc0.2Si1.3P1.7O12

Philip J. Squattrito; Philip R. Rudolf; Paul G. Hinson; Abraham Clearfield; Kenneth Volin; James D. Jorgensen

doi:10.1016/0167-2738(88)90285-8

Sodium and oxygen disorder in a scandium-substituted nasicon: A time of flight neutron powder diffraction study of Na_2.5Zr_1.8Sc_0.2Si_1.3P_1.7O₁₂

Philip J. Squattrito, Philip R. Rudolf, Paul G. Hinson, Abraham Clearfield, Kenneth Volin, James D. Jorgensen

Chemistry & Biochemistry

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Abstract

A Sc-substituted NASICON of composition Na_2.5Zr_1.8Sc_0.2Si_1.3P_1.7O₁₂ has been prepared and characterized by neutron powder diffraction and conductivity measurements. Time-of-flight neutron powder diffraction data were collected at 26, 100, 200, and 400°C. Satisfactory Rietveld refinements were obtained for all temperatures using the rhombohedral space group R3c. The novel aspect of this structure is the simultaneous presence of partially occupied intersitial sodium and oxygen sites that are disordered with the regular Na(2) and O(1) sites in the known rhombohedral NASICON structure. The results are compared with recent findings of defect structures in other NASICON materials. Conductivity measurements in the range 30-350°C reveal an activation energy of 0.30 eV for Na⁺ conduction but conductivity values were found to change with temperature of sample preparation.

Original language	English
Pages (from-to)	31-40
Number of pages	10
Journal	Solid State Ionics
Volume	31
Issue number	1
DOIs	https://doi.org/10.1016/0167-2738(88)90285-8
State	Published - Oct 1988

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@article{fbf0962778ed415a8e23e1738a64a2aa,

title = "Sodium and oxygen disorder in a scandium-substituted nasicon: A time of flight neutron powder diffraction study of Na2.5Zr1.8Sc0.2Si1.3P1.7O12",

abstract = "A Sc-substituted NASICON of composition Na2.5Zr1.8Sc0.2Si1.3P1.7O12 has been prepared and characterized by neutron powder diffraction and conductivity measurements. Time-of-flight neutron powder diffraction data were collected at 26, 100, 200, and 400°C. Satisfactory Rietveld refinements were obtained for all temperatures using the rhombohedral space group R3c. The novel aspect of this structure is the simultaneous presence of partially occupied intersitial sodium and oxygen sites that are disordered with the regular Na(2) and O(1) sites in the known rhombohedral NASICON structure. The results are compared with recent findings of defect structures in other NASICON materials. Conductivity measurements in the range 30-350°C reveal an activation energy of 0.30 eV for Na+ conduction but conductivity values were found to change with temperature of sample preparation.",

author = "Squattrito, {Philip J.} and Rudolf, {Philip R.} and Hinson, {Paul G.} and Abraham Clearfield and Kenneth Volin and Jorgensen, {James D.}",

note = "Funding Information: The IntenseP ulsedN eutronS ource(I PNS) of Ar-gonneN ationalL aboratoryis operatedu ndert he auspiceosf theU .S, Departmenotf EnergyB, ES-Ma-terialsS cienceu, nderc ontracWt -31-109~Eng-t3o8 , whomw ee xtendth anksf or theu seo f theirf acilhies. The portiono f the work donea t TexasA &M Uni-versityw ass upportebdy a granftr omt heT exasA &M UniversityC enterfo r Energya nd& MinerRale sources and by the Regentos f The TexasA &M University System( AUF Grant No. 24423MSM, aterialsa nd SurfaceS cience)W. e thankD r. MA. Subramanian of E.I. du Pontd e Nemoursfo r technicaal ssistance with thec onductivityd ata.",

year = "1988",

month = oct,

doi = "10.1016/0167-2738(88)90285-8",

language = "English",

volume = "31",

pages = "31--40",

journal = "Solid State Ionics",

issn = "0167-2738",

number = "1",

}

Sodium and oxygen disorder in a scandium-substituted nasicon : A time of flight neutron powder diffraction study of Na_2.5Zr_1.8Sc_0.2Si_1.3P_1.7O₁₂. / Squattrito, Philip J.; Rudolf, Philip R.; Hinson, Paul G.; Clearfield, Abraham; Volin, Kenneth; Jorgensen, James D.

In: Solid State Ionics, Vol. 31, No. 1, 10.1988, p. 31-40.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Sodium and oxygen disorder in a scandium-substituted nasicon

T2 - A time of flight neutron powder diffraction study of Na2.5Zr1.8Sc0.2Si1.3P1.7O12

AU - Squattrito, Philip J.

AU - Rudolf, Philip R.

AU - Hinson, Paul G.

AU - Clearfield, Abraham

AU - Volin, Kenneth

AU - Jorgensen, James D.

N1 - Funding Information: The IntenseP ulsedN eutronS ource(I PNS) of Ar-gonneN ationalL aboratoryis operatedu ndert he auspiceosf theU .S, Departmenotf EnergyB, ES-Ma-terialsS cienceu, nderc ontracWt -31-109~Eng-t3o8 , whomw ee xtendth anksf or theu seo f theirf acilhies. The portiono f the work donea t TexasA &M Uni-versityw ass upportebdy a granftr omt heT exasA &M UniversityC enterfo r Energya nd& MinerRale sources and by the Regentos f The TexasA &M University System( AUF Grant No. 24423MSM, aterialsa nd SurfaceS cience)W. e thankD r. MA. Subramanian of E.I. du Pontd e Nemoursfo r technicaal ssistance with thec onductivityd ata.

PY - 1988/10

Y1 - 1988/10

N2 - A Sc-substituted NASICON of composition Na2.5Zr1.8Sc0.2Si1.3P1.7O12 has been prepared and characterized by neutron powder diffraction and conductivity measurements. Time-of-flight neutron powder diffraction data were collected at 26, 100, 200, and 400°C. Satisfactory Rietveld refinements were obtained for all temperatures using the rhombohedral space group R3c. The novel aspect of this structure is the simultaneous presence of partially occupied intersitial sodium and oxygen sites that are disordered with the regular Na(2) and O(1) sites in the known rhombohedral NASICON structure. The results are compared with recent findings of defect structures in other NASICON materials. Conductivity measurements in the range 30-350°C reveal an activation energy of 0.30 eV for Na+ conduction but conductivity values were found to change with temperature of sample preparation.

AB - A Sc-substituted NASICON of composition Na2.5Zr1.8Sc0.2Si1.3P1.7O12 has been prepared and characterized by neutron powder diffraction and conductivity measurements. Time-of-flight neutron powder diffraction data were collected at 26, 100, 200, and 400°C. Satisfactory Rietveld refinements were obtained for all temperatures using the rhombohedral space group R3c. The novel aspect of this structure is the simultaneous presence of partially occupied intersitial sodium and oxygen sites that are disordered with the regular Na(2) and O(1) sites in the known rhombohedral NASICON structure. The results are compared with recent findings of defect structures in other NASICON materials. Conductivity measurements in the range 30-350°C reveal an activation energy of 0.30 eV for Na+ conduction but conductivity values were found to change with temperature of sample preparation.

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U2 - 10.1016/0167-2738(88)90285-8

DO - 10.1016/0167-2738(88)90285-8

M3 - Article

AN - SCOPUS:0024090189

VL - 31

SP - 31

EP - 40

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

IS - 1

ER -

Sodium and oxygen disorder in a scandium-substituted nasicon: A time of flight neutron powder diffraction study of Na_2.5Zr_1.8Sc_0.2Si_1.3P_1.7O₁₂

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