Inorganic Chemistry

, том 56 , издание 9 , страницы 4840-4845

Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H.

Yoshihiro Goto ¹

Cedric Tassel ¹

Yasuto Noda ²

Olivier Hernandez ³

C. J. Pickard ^{4, 5}

Mark A Green ⁶

Hikari Sakaebe ⁷

Noboru Taguchi ⁷

Yoshiharu Uchimoto ⁸

Yoji Kobayashi ¹

Hiroshi KAGEYAMA ¹

Скрыть аффилиации авторов Показать аффилиации авторов: 8 аффилиаций

Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan |

Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan |

Institut des Sciences Chimiques de Rennes, UMR CNRS 6226, Université de Rennes 1, Bâtiment 10B, Campus de Beaulieu, Rennes F-35042, France |

⁴

Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom |

⁵

Advanced Institute for Materials Research (AIMR), Tohoku University, 2-1-1 Katahira, Aoba, Sendai 980-8577, Japan |

⁶

School of Physical Sciences, University of Kent, Canterbury CT2 7NR, United Kingdom |

⁷

National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan |

⁸

Graduate School of Human and Environmental Studies, Kyoto University, Kyoto 606-8501, Japan |

Тип публикации: Journal Article

Дата публикации: 2017-04-11

American Chemical Society (ACS)

Inorganic Chemistry

scimago Q1

wos Q1

БС1

SJR: 0.958

CiteScore: 7.4

Impact factor: 4.7

ISSN: 00201669, 1520510X

DOI: 10.1021/acs.inorgchem.6b02834

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PubMed ID: 28398729

Inorganic Chemistry

Physical and Theoretical Chemistry

Краткое описание

We report a scandium oxyhydride BaScO2H prepared by solid state reaction under high pressure. Rietveld refinements against powder synchrotron X-ray and neutron diffraction data revealed that BaScO2H adopts the ideal cubic perovskite structure (Pm3̅m), where oxide (O2-) and hydride (H-) anions are disordered. 1H nuclear magnetic resonance (NMR) spectroscopy provides a positive chemical shift of about +4.4 ppm, which can be understood by the distance to the nearest (and possibly the next nearest) cation from the H nucleus. A further analysis of the NMR data and calculations based on ab initio random structure searches suggest a partial cis preference in ScO4H2 octahedra. The present oxyhydride, if compositionally or structurally tuned, may become a candidate for H- conductors.

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Goto Y. et al. Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H. // Inorganic Chemistry. 2017. Vol. 56. No. 9. pp. 4840-4845.

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Goto Y., Tassel C., Noda Y., Hernandez O., Pickard C. J., Green M. A., Sakaebe H., Taguchi N., Uchimoto Y., Kobayashi Y., KAGEYAMA H. Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H. // Inorganic Chemistry. 2017. Vol. 56. No. 9. pp. 4840-4845.

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TY - JOUR

DO - 10.1021/acs.inorgchem.6b02834

UR - https://doi.org/10.1021/acs.inorgchem.6b02834

TI - Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H.

T2 - Inorganic Chemistry

AU - Goto, Yoshihiro

AU - Tassel, Cedric

AU - Noda, Yasuto

AU - Hernandez, Olivier

AU - Pickard, C. J.

AU - Green, Mark A

AU - Sakaebe, Hikari

AU - Taguchi, Noboru

AU - Uchimoto, Yoshiharu

AU - Kobayashi, Yoji

AU - KAGEYAMA, Hiroshi

PY - 2017

DA - 2017/04/11

PB - American Chemical Society (ACS)

SP - 4840-4845

IS - 9

VL - 56

PMID - 28398729

SN - 0020-1669

SN - 1520-510X

ER -

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@article{2017_Goto,

author = {Yoshihiro Goto and Cedric Tassel and Yasuto Noda and Olivier Hernandez and C. J. Pickard and Mark A Green and Hikari Sakaebe and Noboru Taguchi and Yoshiharu Uchimoto and Yoji Kobayashi and Hiroshi KAGEYAMA},

title = {Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H.},

journal = {Inorganic Chemistry},

year = {2017},

volume = {56},

publisher = {American Chemical Society (ACS)},

month = {apr},

url = {https://doi.org/10.1021/acs.inorgchem.6b02834},

number = {9},

pages = {4840--4845},

doi = {10.1021/acs.inorgchem.6b02834}

}

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Goto, Yoshihiro, et al. “Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H..” Inorganic Chemistry, vol. 56, no. 9, Apr. 2017, pp. 4840-4845. https://doi.org/10.1021/acs.inorgchem.6b02834.