High-Pressure Polymorphs of LaHO with Anion Coordination Reversal.

Journal

Journal of the American Chemical Society

ISSN: 1520-5126

Titre abrégé: J Am Chem Soc

Pays: United States

ID NLM: 7503056

Informations de publication

Date de publication:
05 Jun 2019

Historique:

pubmed: 18 5 2019

medline: 18 5 2019

entrez: 18 5 2019

Statut: ppublish

Résumé

Two novel high-pressure polymorphs of lanthanum oxyhydride have been successfully predicted and stabilized under pressure. When reacted at 3 GPa, the fluorite structure of LaHO with anion-centered tetrahedral (HLa

Identifiants

DOI: 10.1021/jacs.9b03320 PMID: 31099572

pubmed: 31099572

doi: 10.1021/jacs.9b03320

doi:

Types de publication

Journal Article

Langues

eng

Pagination

8717-8720

Auteurs

Thibault Broux (T)

Graduate School of Engineering , Kyoto University , Kyoto 615-8510 , Japan.

Hiroki Ubukata (H)

Graduate School of Engineering , Kyoto University , Kyoto 615-8510 , Japan.

Chris J Pickard (CJ)

Department of Materials Science & Metallurgy , University of Cambridge , 27 Charles Babbage Road , Cambridge CB3 0FS , U.K.

Advanced Institute for Materials Research , Tohoku University , 2-1-1 Katahira, Aoba , Sendai 980-8577 , Japan.

Fumikata Takeiri (F)

Department of Materials Molecular Science , Institute for Molecular Science , 38 Nishigo-naka, Myodaiji , Okazaki 444-8585 , Japan.

ORCID: 0000-0001-9839-5669

Genki Kobayashi (G)

Department of Materials Molecular Science , Institute for Molecular Science , 38 Nishigo-naka, Myodaiji , Okazaki 444-8585 , Japan.

ORCID: 0000-0001-6528-0355

Shogo Kawaguchi (S)

Japan Synchrotron Radiation Research Institute , SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun , Hyogo 679-5198 , Japan.

Masao Yonemura (M)

Neutron Science Laboratory (KENS), Institute of Materials Structure Science , High Energy Accelerator Research Organization , 203-1 Shirakata, Tokai , Ibaraki 319-1106 , Japan.