Zur Kristallstruktur von Li3InCl6

Schmidt, Michael; Wickleder, Ma­thias S.; Meyer, Gerd

doi:10.1002/(sici)1521-3749(199904)625:4<539::aid-zaac539>3.0.co;2-j

Cited by 29 publications

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“…More precisely, indium occupies Wyckoff 2a (M1) and lithium occupies Wyckoff 4h (Li1) and Wyckoff 2d (Li2) positions (see Figures 1b,c). 37 Further, this work will show mixed indium−lithium octahedra within the (001) lattice plane, i.e., the Wyckoff 4g (M2/Li4) position. In each lattice plane, the octahedra of the Wyckoff position with 4-fold multiplicity are directly connected with each other, forming a network based on a honeycomb pattern, while the positions with lower multiplicity are isolated from each other.…”

Section: Introductionmentioning

confidence: 71%

“…More precisely, indium occupies the Wyckoff 2a (M1) and lithium occupies the Wyckoff 4h (Li1) and Wyckoff 2d (Li2) position (see Figure 1b and 1c). 37 Further, this work will show mixed indium -lithium octahedra within the (001) lattice plane, i.e. the Wyckoff 4g (M2/Li4) position.…”

Section: Introductionmentioning

confidence: 72%

“…25,35,36 The common high-temperature or mechanochemical synthesis of Li 3 InCl 6 results in comparable room-temperature conductivities of ∼1.5 mS•cm −1 . 24,35 Li 3 InCl 6 adapts a monoclinic structure (space group: C2/m) and was initially solved using single-crystal X-ray diffraction by Schmidt et al 37 It crystallizes in a layered structure consisting of edge-sharing (InCl 6 ) 3− and (LiCl 6 ) 5− octahedra. The (InCl 6 ) 3− octahedra are exclusively located within the (001) lattice plane, whereas (LiCl 6 ) 5− octahedra can be found within the (002) lattice plane (Figure 1a).…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

et al. 2021

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In recent years, ternary halides Li3MX6 (M = Y, Er, In; X = Cl, Br, I) have garnered attention as solid electrolytes due to their wide electrochemical stability window and favorable roomtemperature conductivities. In this material class, the influences of iso-or aliovalent substitutions are so far rarely studied in-depth, despite this being a common tool for correlating structure and transport properties. In this work, we investigate the impact of Zr substitution on the structure and ionic conductivity of Li3InCl6 (Li3-xIn1-xZrxCl6 with 0 ≤ x ≤ 0.5) using a combination of neutron diffraction, nuclear magnetic resonance and impedance spectroscopy.Analysis of high-resolution diffraction data shows the presence of an additional tetrahedrally coordinated lithium position together with cation site-disorder, both of which have not been reported previously for Li3InCl6. This Li + position and cation disorder lead to the formation of a three-dimensional lithium ion diffusion channel, instead of the expected two-dimensional diffusion. Upon Zr 4+ substitution, the structure exhibits non-uniform volume changes along with an increasing number of vacancies, all of which lead to an increasing ionic conductivity in this series of solid solutions.

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Section: Introductionmentioning

confidence: 71%

Section: Introductionmentioning

confidence: 72%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

et al. 2021

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“…25,35,36 Common hightemperature or mechanochemical synthesis of Li3InCl6 results in comparable room-temperature conductivities of ~1.5 mS•cm -1 . 24,35 Li3InCl6 adapts a monoclinic structure (space group: C2/m) and was initially solved from single crystal X-ray diffraction by Schmidt et al 37 It crystallizes in a layered structure consisting of edge-sharing (InCl6) 3-and (LiCl6) 5-octahedra. The (InCl6) 3-octahedra are exclusively located within the (001) lattice plane, whereas (LiCl6) 5octahedra can be found within the (002) lattice plane (Figure 1a).…”

Section: Introductionmentioning

confidence: 99%

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3-xIn1-xZrxCl6 (0 ≤ X ≤ 0.5)

Helm¹,

Schlem²,

Wankmiller

et al. 2021

Preprint

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In recent years, ternary halides Li3MX6 (M = Y, Er, In; X = Cl, Br, I) have garnered attention as solid electrolytes due to their wide electrochemical stability window and favorable room-temperature conductivities. In this material class, the influences of iso- or aliovalent substitutions are so far rarely studied in-depth, despite this being a common tool for correlating structure and transport properties. In this work, we investigate the impact of Zr substitution on the structure and ionic conductivity of Li3InCl6 (Li3-xIn1-xZrxCl6 with 0 ≤ x ≤ 0.5) using a combination of neutron diffraction, nuclear magnetic resonance and impedance spectroscopy. Analysis of high-resolution diffraction data shows the presence of an additional tetrahedrally coordinated lithium position together with cation site-disorder, both of which have not been reported previously for Li3InCl6. This Li+ position and cation disorder lead to the formation of a three-dimensional lithium ion diffusion channel, instead of the expected two-dimensional diffusion. Upon Zr4+ substitution, the structure exhibits non-uniform volume changes along with an increasing number of vacancies, all of which lead to an increasing ionic conductivity in this series of solid solutions.

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“…When x = 0.2, the main phase is still trigonal Li 3 YCl 6 and some new peaks of the monoclinic Li 3 InCl 6 structure (C2/m, ICSD no. 04-009-9027) 17 appeared (Figure 1a). The obvious monoclinic Li 3 InCl 6 phase starts to evolve at x ≥ 0.3, with all of the XRD patterns being quite similar (Figure 1b).…”

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confidence: 99%

Origin of Superionic Li₃Y_1–xIn_xCl₆ Halide Solid Electrolytes with High Humidity Tolerance

et al. 2020

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The high ionic conductivity, air/humidity tolerance, and related chemistry of Li3MX6 solid-state electrolytes (SSEs, M is a metal element, and X is a halogen) has recently gained significant interest. However, most of the halide SSEs suffer from irreversible chemical degradation when exposed to a humid atmosphere, which originates from hydrolysis. Herein, the function of the M atom in Li3MX6 was clarified by a series of Li3Y1–x In x Cl6 (0 ≤ x < 1). When the ratio of In3+ was increased, a gradual structural conversion from the hexagonal-closed-packed (hcp) anion arrangement to cubic-closed-packed (ccp) anion arrangement has been traced. Compared to hcp anion sublattice, the Li3MX6 with ccp anion sublattice reveals faster Li+ migration. The tolerance of Li3Y1–x In x Cl6 towards humidity is highly improved when the In3+ content is high enough due to the formation of hydrated intermediates. The correlations among composition, structure, Li+ migration, and humidity stability presented in this work provide insights for designing new halide-based SSEs.

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Zur Kristallstruktur von Li3InCl6

Cited by 29 publications

References 0 publications

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3-xIn1-xZrxCl6 (0 ≤ X ≤ 0.5)

Origin of Superionic Li₃Y_1–xIn_xCl₆ Halide Solid Electrolytes with High Humidity Tolerance

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Zur Kristallstruktur von Li3InCl6

Cited by 29 publications

References 0 publications

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3–xIn1–xZrxCl6 (0 ≤ x ≤ 0.5)

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3–xIn1–xZrxCl6 (0 ≤ x ≤ 0.5)

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3-xIn1-xZrxCl6 (0 ≤ X ≤ 0.5)

Origin of Superionic Li3Y1–xInxCl6 Halide Solid Electrolytes with High Humidity Tolerance

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Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li_3–xIn_1–xZr_xCl₆ (0 ≤ x ≤ 0.5)

Origin of Superionic Li₃Y_1–xIn_xCl₆ Halide Solid Electrolytes with High Humidity Tolerance