A single crystal X-ray and powder neutron diffraction study on NASICON-type Li1+xAlxTi2−x(PO4)3 (0 ≤ x ≤ 0.5) crystals: Implications on ionic conductivity

G. J. Redhammer; D. Rettenwander; S. Pristat; E. Dashjav; C. M N Kumar; D. Topa; F. Tietz

doi:10.1016/j.solidstatesciences.2016.08.011

A single crystal X-ray and powder neutron diffraction study on NASICON-type Li_1+xAl_xTi_2−x(PO₄)₃ (0 ≤ x ≤ 0.5) crystals: Implications on ionic conductivity

G. J. Redhammer^*, D. Rettenwander, S. Pristat, E. Dashjav, C. M N Kumar, D. Topa, F. Tietz

^*Korrespondierende/r Autor/-in für diese Arbeit

Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

Abstract

Single crystals of NASICON-type material Li_1+xTi_2−xAl_x(PO₄)₃ (LATP) with 0 ≤ x ≤ 0.5 were successfully grown using long-term sintering techniques. Sample material was studied by chemical analysis, single crystal X-ray and neutron diffraction. The Ti⁴⁺ replacement scales very well with the Al³⁺ and Li⁺ incorporation. The additional Li⁺ thereby enters the M3 cavity of the NASICON framework at x, y, z ∼ (0.07, 0.34, 0.09) and is regarded to be responsible for the enhanced Li⁺ conduction of LATP as compared to Al-free LTP. Variations in structural parameters, associated with the Ti⁴⁺ substitution with Al³⁺ + Li⁺ will be discussed in detail in this paper.

Originalsprache	englisch
Seiten (von - bis)	99-107
Seitenumfang	9
Fachzeitschrift	Solid State Sciences
Jahrgang	60
DOIs	https://doi.org/10.1016/j.solidstatesciences.2016.08.011
Publikationsstatus	Veröffentlicht - 1 Okt. 2016
Extern publiziert	Ja

ASJC Scopus subject areas

Chemie (insg.)
Werkstoffwissenschaften (insg.)
Physik der kondensierten Materie

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10.1016/j.solidstatesciences.2016.08.011

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title = "A single crystal X-ray and powder neutron diffraction study on NASICON-type Li1+xAlxTi2−x(PO4)3 (0 ≤ x ≤ 0.5) crystals: Implications on ionic conductivity",

abstract = "Single crystals of NASICON-type material Li1+xTi2−xAlx(PO4)3 (LATP) with 0 ≤ x ≤ 0.5 were successfully grown using long-term sintering techniques. Sample material was studied by chemical analysis, single crystal X-ray and neutron diffraction. The Ti4+ replacement scales very well with the Al3+ and Li+ incorporation. The additional Li+ thereby enters the M3 cavity of the NASICON framework at x, y, z ∼ (0.07, 0.34, 0.09) and is regarded to be responsible for the enhanced Li+ conduction of LATP as compared to Al-free LTP. Variations in structural parameters, associated with the Ti4+ substitution with Al3+ + Li+ will be discussed in detail in this paper.",

keywords = "Al substitution, LATP, LiTi(PO4), NASICON, Neutron diffraction, Single crystal X-ray diffraction",

author = "Redhammer, {G. J.} and D. Rettenwander and S. Pristat and E. Dashjav and Kumar, {C. M N} and D. Topa and F. Tietz",

year = "2016",

month = oct,

day = "1",

doi = "10.1016/j.solidstatesciences.2016.08.011",

language = "English",

volume = "60",

pages = "99--107",

journal = "Solid State Sciences",

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publisher = "Elsevier B.V.",

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TY - JOUR

T1 - A single crystal X-ray and powder neutron diffraction study on NASICON-type Li1+xAlxTi2−x(PO4)3 (0 ≤ x ≤ 0.5) crystals

T2 - Implications on ionic conductivity

AU - Redhammer, G. J.

AU - Rettenwander, D.

AU - Pristat, S.

AU - Dashjav, E.

AU - Kumar, C. M N

AU - Topa, D.

AU - Tietz, F.

PY - 2016/10/1

Y1 - 2016/10/1

N2 - Single crystals of NASICON-type material Li1+xTi2−xAlx(PO4)3 (LATP) with 0 ≤ x ≤ 0.5 were successfully grown using long-term sintering techniques. Sample material was studied by chemical analysis, single crystal X-ray and neutron diffraction. The Ti4+ replacement scales very well with the Al3+ and Li+ incorporation. The additional Li+ thereby enters the M3 cavity of the NASICON framework at x, y, z ∼ (0.07, 0.34, 0.09) and is regarded to be responsible for the enhanced Li+ conduction of LATP as compared to Al-free LTP. Variations in structural parameters, associated with the Ti4+ substitution with Al3+ + Li+ will be discussed in detail in this paper.

AB - Single crystals of NASICON-type material Li1+xTi2−xAlx(PO4)3 (LATP) with 0 ≤ x ≤ 0.5 were successfully grown using long-term sintering techniques. Sample material was studied by chemical analysis, single crystal X-ray and neutron diffraction. The Ti4+ replacement scales very well with the Al3+ and Li+ incorporation. The additional Li+ thereby enters the M3 cavity of the NASICON framework at x, y, z ∼ (0.07, 0.34, 0.09) and is regarded to be responsible for the enhanced Li+ conduction of LATP as compared to Al-free LTP. Variations in structural parameters, associated with the Ti4+ substitution with Al3+ + Li+ will be discussed in detail in this paper.

KW - Al substitution

KW - LATP

KW - LiTi(PO4)

KW - NASICON

KW - Neutron diffraction

KW - Single crystal X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=84983400219&partnerID=8YFLogxK

U2 - 10.1016/j.solidstatesciences.2016.08.011

DO - 10.1016/j.solidstatesciences.2016.08.011

M3 - Article

AN - SCOPUS:84983400219

SN - 1293-2558

VL - 60

SP - 99

EP - 107

JO - Solid State Sciences

JF - Solid State Sciences

ER -