Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO

Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO

Heteroanionic hydrides offer great possibilities in the design of functional materials. For ternary rare earth hydride oxide <i>RE</i>HO, several modifications were reported with indications for a significant phase width with respect to H and O of the cubic representatives. We obtained D...

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Bibliographic Details
Main Authors: Nicolas Zapp, Denis Sheptyakov, Holger Kohlmann
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Crystals
Subjects:
metal hydrides
oxides
neutron diffraction
ab initio calculations
solid-state synthesis
Online Access:https://www.mdpi.com/2073-4352/11/7/750

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