- Titel
- Size Matters: New Zintl Phase Hydrides of REGa (RE = Y, La, Tm) and RESi (RE = Y, Er, Tm) with Large and Small Cations
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa2-846122
- Quellenangabe
- Crystals
Erscheinungsjahr: 2019
Jahrgang: 9
Heft: 11
E-ISSN: 2073-4352
Artikelnummer: 600 - Erstveröffentlichung
- 2019
- Abstract (EN)
- Many Zintl phases exhibiting a CrB type structure form hydrides. Systematic studies of AeTtHx (Ae = Ca, Sr, Ba; Tt = Si, Ge, Sn), LnTtHx (Ln = La, Nd; Tt = Si, Ge, Sn), and LnGaHx (Ln = Nd, Gd) showed the vast structural diversity of these systems. Hydrogenation reactions on REGa (RE = Y, La, Tm) and RESi (RE = Y, Er, Tm) were performed in steel autoclaves under hydrogen pressure up to 5 MPa and temperatures up to 773 K. The products were analyzed by X-ray and neutron powder diffraction. RESi (RE = Y, Er, Tm) form hydrides in the C-LaGeD type. LaGaD1.66 is isostructural to NdGaD1.66 and shows similar electronic features. Ga-D distances (1.987(13) Å and 2.396(9) Å) are considerably longer than in polyanionic hydrides and not indicative of covalent bonding. In TmGaD0.93(2) with a distorted CrB type structure deuterium atoms exclusively occupy tetrahedral voids. Theoretical calculations on density functional theory (DFT) level confirm experimental results and suggest metallic properties for the hydrides.
- Andere Ausgabe
- Link zur Erstveröffentlichung
Link: https://doi.org/10.3390/cryst9110600 - Freie Schlagwörter (EN)
- Zintl phases; metal hydrides; interstitial hydrides; Zintl phase hydrides; lanthanides; powder diffraction; neutron diffraction; deuterides; thermal analysis; in situ diffraction
- Klassifikation (DDC)
- 540
- Verlag
- MDPI, Basel
- Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:15-qucosa2-846122
- Veröffentlichungsdatum Qucosa
- 06.04.2023
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis
CC BY 4.0