A synthesis and crystal chemical study of the fast ion conductor Li 7-3 xGaxLa3 Zr2O12 with x = 0.08 to 0.84

Daniel Rettenwander; Charles A. Geiger; Martina Tribus; Peter Tropper; Georg Amthauer

doi:10.1021/ic500803h

A synthesis and crystal chemical study of the fast ion conductor Li _{7-3 x}Ga_xLa₃ Zr₂O₁₂ with x = 0.08 to 0.84

Daniel Rettenwander^*, Charles A. Geiger, Martina Tribus, Peter Tropper, Georg Amthauer

^*Corresponding author for this work

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

Abstract

Fast-conducting phase-pure cubic Ga-bearing Li₇La ₃Zr₂O₁₂ was obtained using solid-state synthesis methods with 0.08 to 0.52 Ga³⁺ pfu in the garnet. An upper limit of 0.72 Ga³⁺ pfu in garnet was obtained, but the synthesis was accompanied by small amounts of La₂Zr₂O₁₂ and LiGaO₃. The synthetic products were characterized by X-ray powder diffraction, electron microprobe and SEM analyses, ICP-OES measurements, and ⁷¹Ga MAS NMR spectroscopy. The unit-cell parameter, a₀, of the various garnets does not vary significantly as a function of Ga ³⁺ content, with a value of about 12.984(4) Å. Full chemical analyses for the solid solutions were obtained giving: Li_7.08Ga _0.06La_2.93Zr_2.02O₁₂, Li _6.50Ga_0.15La_2.96Zr_2.05O ₁₂, Li_6.48Ga_0.23La_2.93Zr _2.04O₁₂, Li_5.93Ga_0.36La _2.94Zr_2.01O₁₂, Li_5.38Ga _0.53La_2.96Zr_1.99O₁₂, Li _4.82Ga_0.60La_2.96Zr_2.00O ₁₂, and Li_4.53Ga_0.72La_2.94Zr _1.98O₁₂. The NMR spectra are interpreted as indicating that Ga³⁺ mainly occurs in a distorted 4-fold coordinated environment that probably corresponds to the general 96h crystallographic site of garnet.

Original language	English
Pages (from-to)	6264-6269
Number of pages	6
Journal	Inorganic Chemistry
Volume	53
Issue number	12
DOIs	https://doi.org/10.1021/ic500803h
Publication status	Published - 16 Jun 2014
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{5cf5202198364c929ec226e5a5b28201,

title = "A synthesis and crystal chemical study of the fast ion conductor Li 7-3 xGaxLa3 Zr2O12 with x = 0.08 to 0.84",

abstract = "Fast-conducting phase-pure cubic Ga-bearing Li7La 3Zr2O12 was obtained using solid-state synthesis methods with 0.08 to 0.52 Ga3+ pfu in the garnet. An upper limit of 0.72 Ga3+ pfu in garnet was obtained, but the synthesis was accompanied by small amounts of La2Zr2O12 and LiGaO3. The synthetic products were characterized by X-ray powder diffraction, electron microprobe and SEM analyses, ICP-OES measurements, and 71Ga MAS NMR spectroscopy. The unit-cell parameter, a0, of the various garnets does not vary significantly as a function of Ga 3+ content, with a value of about 12.984(4) {\AA}. Full chemical analyses for the solid solutions were obtained giving: Li7.08Ga 0.06La2.93Zr2.02O12, Li 6.50Ga0.15La2.96Zr2.05O 12, Li6.48Ga0.23La2.93Zr 2.04O12, Li5.93Ga0.36La 2.94Zr2.01O12, Li5.38Ga 0.53La2.96Zr1.99O12, Li 4.82Ga0.60La2.96Zr2.00O 12, and Li4.53Ga0.72La2.94Zr 1.98O12. The NMR spectra are interpreted as indicating that Ga3+ mainly occurs in a distorted 4-fold coordinated environment that probably corresponds to the general 96h crystallographic site of garnet.",

author = "Daniel Rettenwander and Geiger, {Charles A.} and Martina Tribus and Peter Tropper and Georg Amthauer",

year = "2014",

month = jun,

day = "16",

doi = "10.1021/ic500803h",

language = "English",

volume = "53",

pages = "6264--6269",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "12",

}

TY - JOUR

T1 - A synthesis and crystal chemical study of the fast ion conductor Li 7-3 xGaxLa3 Zr2O12 with x = 0.08 to 0.84

AU - Rettenwander, Daniel

AU - Geiger, Charles A.

AU - Tribus, Martina

AU - Tropper, Peter

AU - Amthauer, Georg

PY - 2014/6/16

Y1 - 2014/6/16

N2 - Fast-conducting phase-pure cubic Ga-bearing Li7La 3Zr2O12 was obtained using solid-state synthesis methods with 0.08 to 0.52 Ga3+ pfu in the garnet. An upper limit of 0.72 Ga3+ pfu in garnet was obtained, but the synthesis was accompanied by small amounts of La2Zr2O12 and LiGaO3. The synthetic products were characterized by X-ray powder diffraction, electron microprobe and SEM analyses, ICP-OES measurements, and 71Ga MAS NMR spectroscopy. The unit-cell parameter, a0, of the various garnets does not vary significantly as a function of Ga 3+ content, with a value of about 12.984(4) Å. Full chemical analyses for the solid solutions were obtained giving: Li7.08Ga 0.06La2.93Zr2.02O12, Li 6.50Ga0.15La2.96Zr2.05O 12, Li6.48Ga0.23La2.93Zr 2.04O12, Li5.93Ga0.36La 2.94Zr2.01O12, Li5.38Ga 0.53La2.96Zr1.99O12, Li 4.82Ga0.60La2.96Zr2.00O 12, and Li4.53Ga0.72La2.94Zr 1.98O12. The NMR spectra are interpreted as indicating that Ga3+ mainly occurs in a distorted 4-fold coordinated environment that probably corresponds to the general 96h crystallographic site of garnet.

AB - Fast-conducting phase-pure cubic Ga-bearing Li7La 3Zr2O12 was obtained using solid-state synthesis methods with 0.08 to 0.52 Ga3+ pfu in the garnet. An upper limit of 0.72 Ga3+ pfu in garnet was obtained, but the synthesis was accompanied by small amounts of La2Zr2O12 and LiGaO3. The synthetic products were characterized by X-ray powder diffraction, electron microprobe and SEM analyses, ICP-OES measurements, and 71Ga MAS NMR spectroscopy. The unit-cell parameter, a0, of the various garnets does not vary significantly as a function of Ga 3+ content, with a value of about 12.984(4) Å. Full chemical analyses for the solid solutions were obtained giving: Li7.08Ga 0.06La2.93Zr2.02O12, Li 6.50Ga0.15La2.96Zr2.05O 12, Li6.48Ga0.23La2.93Zr 2.04O12, Li5.93Ga0.36La 2.94Zr2.01O12, Li5.38Ga 0.53La2.96Zr1.99O12, Li 4.82Ga0.60La2.96Zr2.00O 12, and Li4.53Ga0.72La2.94Zr 1.98O12. The NMR spectra are interpreted as indicating that Ga3+ mainly occurs in a distorted 4-fold coordinated environment that probably corresponds to the general 96h crystallographic site of garnet.

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U2 - 10.1021/ic500803h

DO - 10.1021/ic500803h

M3 - Article

AN - SCOPUS:84902436580

SN - 0020-1669

VL - 53

SP - 6264

EP - 6269

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 12

ER -

A synthesis and crystal chemical study of the fast ion conductor Li _{7-3 x}Ga_xLa₃ Zr₂O₁₂ with x = 0.08 to 0.84

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