Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studies

J Percival; Peter Slater

doi:10.1016/j.ssc.2007.02.036

Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studies

J Percival, Peter Slater

Chemistry

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30 Citations (Scopus)

Abstract

In this paper a neutron powder diffraction structural study of the Li ion conducting garnet-related system, Li6SrLa2Nb2O12, is reported. The results show that this phase is cubic, space group Ia-3d, and contains Li in two partially occupied crystallographic sites. The first site, Li1, corresponds to the ideal tetrahedral site in the garnet framework and possesses an occupancy of 0.59(1). The second site, Li2, is significantly more distorted and possesses an occupancy of 0.352(3). Compared to the related Li5La3Nb2O12 System, the Li2 site occupancy is greatly increased, while the Li1 site occupancy is reduced. Despite these large differences in site occupancies, the reported conductivities for Li5La3Nb2O12 and Li6SrLa2Nb2O12 are similar, showing the complexities of these new garnet Li ion conductors. (c) 2007 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	355-357
Number of pages	3
Journal	Solid State Communications
Volume	142
Issue number	6
DOIs	https://doi.org/10.1016/j.ssc.2007.02.036
Publication status	Published - 1 May 2007

Keywords

crystal structure and symmetry

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10.1016/j.ssc.2007.02.036

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title = "Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studies",

abstract = "In this paper a neutron powder diffraction structural study of the Li ion conducting garnet-related system, Li6SrLa2Nb2O12, is reported. The results show that this phase is cubic, space group Ia-3d, and contains Li in two partially occupied crystallographic sites. The first site, Li1, corresponds to the ideal tetrahedral site in the garnet framework and possesses an occupancy of 0.59(1). The second site, Li2, is significantly more distorted and possesses an occupancy of 0.352(3). Compared to the related Li5La3Nb2O12 System, the Li2 site occupancy is greatly increased, while the Li1 site occupancy is reduced. Despite these large differences in site occupancies, the reported conductivities for Li5La3Nb2O12 and Li6SrLa2Nb2O12 are similar, showing the complexities of these new garnet Li ion conductors. (c) 2007 Elsevier Ltd. All rights reserved.",

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TY - JOUR

T1 - Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studies

AU - Percival, J

AU - Slater, Peter

PY - 2007/5/1

Y1 - 2007/5/1

N2 - In this paper a neutron powder diffraction structural study of the Li ion conducting garnet-related system, Li6SrLa2Nb2O12, is reported. The results show that this phase is cubic, space group Ia-3d, and contains Li in two partially occupied crystallographic sites. The first site, Li1, corresponds to the ideal tetrahedral site in the garnet framework and possesses an occupancy of 0.59(1). The second site, Li2, is significantly more distorted and possesses an occupancy of 0.352(3). Compared to the related Li5La3Nb2O12 System, the Li2 site occupancy is greatly increased, while the Li1 site occupancy is reduced. Despite these large differences in site occupancies, the reported conductivities for Li5La3Nb2O12 and Li6SrLa2Nb2O12 are similar, showing the complexities of these new garnet Li ion conductors. (c) 2007 Elsevier Ltd. All rights reserved.

AB - In this paper a neutron powder diffraction structural study of the Li ion conducting garnet-related system, Li6SrLa2Nb2O12, is reported. The results show that this phase is cubic, space group Ia-3d, and contains Li in two partially occupied crystallographic sites. The first site, Li1, corresponds to the ideal tetrahedral site in the garnet framework and possesses an occupancy of 0.59(1). The second site, Li2, is significantly more distorted and possesses an occupancy of 0.352(3). Compared to the related Li5La3Nb2O12 System, the Li2 site occupancy is greatly increased, while the Li1 site occupancy is reduced. Despite these large differences in site occupancies, the reported conductivities for Li5La3Nb2O12 and Li6SrLa2Nb2O12 are similar, showing the complexities of these new garnet Li ion conductors. (c) 2007 Elsevier Ltd. All rights reserved.

KW - crystal structure and symmetry

U2 - 10.1016/j.ssc.2007.02.036

DO - 10.1016/j.ssc.2007.02.036

M3 - Article

VL - 142

SP - 355

EP - 357

JO - Solid State Communications

JF - Solid State Communications

IS - 6

ER -

Identification of the Li sites in the Li ion conductor, Li6SrLa2Nb2O12, through neutron powder diffraction studies

Abstract

Keywords

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