Synthesis, structure, and electrical conductivity of Sr2LiH2N nitride hydride

Jiang, Guangzhong; Matsui, Naoki; Mezaki, Takeya; Yoshitake, T.; Suzuki, Kota; Hirayama, Masaaki; Saito, Takashi; Kamiyama, Takashi; Kanno, Ryoji

doi:10.1016/j.jssc.2022.123051

Cited by 5 publications

(6 citation statements)

References 30 publications

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“…K 2 NiF 4 -type hydride-containing mixed-anion compounds have recently been developed as hydride ion conductors, ,− and thus Sr 2 LiHOCl 2 may also be a potential candidate provided that anion deficiency is introduced at the equatorial site. La 2– x – y Sr x + y LiH 1– x + y O 3– y exhibits a hydride conductivity of ∼10 –5 S·cm –1 at 300 °C, but in addition to in-plane diffusion through a vacancy-mediated mechanism, interlayer diffusion via apical sites is also suggested, which complicates the understanding of ionic conduction .…”

Section: Resultsmentioning

confidence: 99%

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

et al. 2023

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While cation order–disorder transitions have been extensively investigated because of their decisive impact on chemical and physical properties, only few anion order–disorder transitions are known. Here, we show that Sr2CuO2Cl2-type layered perovskite Sr2LiHOCl2 exhibits a pressure-induced H–/O2– order–disorder transition. When synthesized at ambient and low pressures (≤2 GPa), Sr2LiHOCl2 is isostructural to orthorhombic Eu2LiHOCl2 (Cmcm) with a H–/O2– order at the equatorial sites. However, applying a higher pressure (5 GPa) during synthesis causes the equatorial anions to be disordered, leading to a tetragonal symmetry (I4/mmm) with a loss of the superstructure. The structural analysis revealed that, in the ambient pressure phase, HLi2Sr4 and OLi2Sr4 octahedra have distinct sizes to stabilize otherwise underbonded oxide ions, which is less important at the higher pressure. Anion-disordered Sr2LiHOBr2 and Ba2LiHOCl2 were also obtained at 5 GPa. Given the abundant layer-type anion order in perovskite-based oxyhydrides (e.g., La2LiHO3), the inclusion of additional anions (e.g., chloride) expands the frontiers of anion ordering patterns and their distribution control with the benefit of improving ionic conduction in solids.

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Section: Resultsmentioning

confidence: 99%

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

et al. 2023

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“…46 The unfavorable conduction of the B-site cations in perovskite structures eliminates the possibility of Li + conduction. 1,13,18,19,21,22,33 Due to the high crystallinity of the film and the identical lattice constant compared to those of bulk samples, it is reasonable to conclude that the conducting ionic species in our thin films is H − . Furthermore, all studies involving ionic conduction measurements were performed without exposure to air, and thus, the influence of H + from the H 2 O in ambient air is negligible.…”

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confidence: 85%

“…Recently, the range of H – conductors expanded significantly, with only three known compositions and two known structures in this class of materials in 2015. − However, by 2022, the number of known compositions and structures increased to 24 and 26, respectively, including mixed-anion compounds [Figure S1, Table S1]. − Most H – conductors have layered structures, such as K 2 NiF 4 -type structures. K 2 NiF 4 -type oxyhydrides and nitride hydrides contain anions with various valences (H – , O 2– , and N 3– ), and Pauling’s second rule dictates that H – anions should occur in proximity to low-valence cations.…”

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confidence: 99%

High H^– Conductivities along the ab-Planes of La₂LiHO₃ Epitaxial Thin Films

Sasahara,

Hirose,

Yoshimoto

et al. 2023

Crystal Growth & Design

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We report the formation of La 2 LiHO 3 epitaxial thin films and the high H − conductivities in the ab-planes of the crystals. Single-phase La 2 LiHO 3 (001) epitaxial thin films are fabricated on LaSrAlO 4 (001) single-crystal substrates via pulsed laser deposition. The H − conductivity in the ab-plane (1.3 × 10 −8 S cm −1 ) at room temperature (22 °C) is four orders of magnitude higher than those of bulk polycrystals, and furthermore, the activation energy (0.46 eV) is less than 2/3 of those of bulk polycrystals. This study reveals the intrinsic intragrain H − conductivity of La 2 LiHO 3 . Moreover, the results suggest that the H − conductivities of bulk polycrystals can be substantially enhanced by controlling the properties of the grains and aligning the orientations of the crystallites.

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“…While oxide hydrides and fluoride hydrides are the most prominent classes of multinary hydrides due to their high stability and easy accessibility, the field of nitride hydrides just established itself as functionally and structurally diverse. For instance, Ba 5 CrN 4 H and Ca 6 [Cr 2 N 6 ]H show catalytic activity and magnetism, while Ca 2 NH and Sr 2 LiH 2 N convince with hydrogen storage capacity and ion conductivity, respectively [20–23] . At the same time, they form diverse structures comprising complex [Cr 2 N 6 ] 11− anions or double chains of edge‐sharing N(Sr 5 Li) and H(Sr 5 Li) octahedra.…”

Section: Formula Sr6n[bn2]2h3 Sr6n[11bn2]2d3mentioning

confidence: 99%

Combining Nitridoborates, Nitrides and Hydrides—Synthesis and Characterization of the Multianionic Sr₆N[BN₂]₂H₃

Wandelt,

Mutschke,

Khalyavin

et al. 2023

Angew Chem Int Ed

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Multianionic metal hydrides, which exhibit a wide variety of physical properties and complex structures, have recently attracted growing interest. Here we present Sr6N[BN2]2H3, prepared in a solid‐state ampoule reaction at 800 °C, as the first combination of nitridoborate, nitride and hydride anions within a single compound. The crystal structure was solved from single‐crystal X‐ray and neutron powder diffraction data in space group P21/c (no. 14), revealing a three‐dimensional network of undulated layers of nitridoborate units, strontium atoms and hydride together with nitride anions. Magic angle spinning (MAS) NMR and vibrational spectroscopy in combination with quantum chemical calculations further confirm the structure model. Electrochemical measurements suggest the existence of hydride ion conductivity, allowing the hydrides to migrate along the layers.

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Synthesis, structure, and electrical conductivity of Sr2LiH2N nitride hydride

Cited by 5 publications

References 30 publications

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

High H^– Conductivities along the ab-Planes of La₂LiHO₃ Epitaxial Thin Films

Combining Nitridoborates, Nitrides and Hydrides—Synthesis and Characterization of the Multianionic Sr₆N[BN₂]₂H₃

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Synthesis, structure, and electrical conductivity of Sr2LiH2N nitride hydride

Cited by 5 publications

References 30 publications

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr2LiHOCl2

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr2LiHOCl2

High H– Conductivities along the ab-Planes of La2LiHO3 Epitaxial Thin Films

Combining Nitridoborates, Nitrides and Hydrides—Synthesis and Characterization of the Multianionic Sr6N[BN2]2H3

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Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr₂LiHOCl₂

High H^– Conductivities along the ab-Planes of La₂LiHO₃ Epitaxial Thin Films

Combining Nitridoborates, Nitrides and Hydrides—Synthesis and Characterization of the Multianionic Sr₆N[BN₂]₂H₃