NdHO, a novel oxyhydride

Journal Article · Fri Jul 15 00:00:00 EDT 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.05.025· OSTI ID:21580139

Wideroe, Marius ^[1]; Fjellvag, Helmer ^[1]; Norby, Truls ^[1]; Willy Poulsen, Finn ^[2]

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1. University of Oslo, Centre for Materials Science and Nanotechnology, Department of Chemistry, NO-0315 Oslo (Norway)
2. Riso DTU, National Laboratory for Sustainable Energy, DK-4000 Roskilde (Denmark)

A new metal oxyhydride; neodymium oxyhydride, NdHO, has been synthesized from a reactant mixture of metal hydride (CaH{sub 2} or NdH{sub 3}) and neodymium oxide (Nd{sub 2}O{sub 3}). The unit cell dimensions decrease smoothly in the series from LaHO, CeHO, PrHO to NdHO, in line with the lanthanide contraction. The crystal structure of NdHO is described on the basis of Rietveld refinement on neutron powder diffraction data: Space group: P4/nmm (no. 129, D{sub 4h}{sup 7}). Axis lengths: a=7.8480(5) A, c=5.5601(8) A. Volume: V=342.46(6) A{sup 3}. The tetragonal structure is derived from the fluorite structure, showing complete ordering of hydride and oxide ions over the anion sublatttice. The formation of NdHO was further substantiated by Raman spectroscopy. - Graphical Abstract: View of the NdHO structure. Highlights: > CaH{sub 2} or NdH{sub 3} react with Nd{sub 2}O{sub 3} in reducing atmospheres forming a new oxyhydride, NdHO. > NdHO crystalises in tetragonal space group P4/nmm with axes a=b=7.8480(5) A and c=5.5601(8) A. > The structure is similar to the fluorite structure with complete ordering of hydride and oxide ions. > Unit cell dimensions decrease smoothly in the series from LaHO, CeHO, PrHO to NdHO. > The formation of NdHO is substantiated by Raman spectroscopy.

• OSTI ID: 21580139
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 7; Other Information: DOI: 10.1016/j.jssc.2011.05.025; PII: S0022-4596(11)00274-X; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ANIONS
CALCIUM HYDRIDES
FLUORITE
LATTICE PARAMETERS
NEODYMIUM
NEODYMIUM OXIDES
NEUTRON DIFFRACTION
RAMAN SPECTROSCOPY
SPACE GROUPS
TETRAGONAL LATTICES
ALKALINE EARTH METAL COMPOUNDS
CALCIUM COMPOUNDS
CHALCOGENIDES
CHARGED PARTICLES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
ELEMENTS
HALIDE MINERALS
HYDRIDES
HYDROGEN COMPOUNDS
IONS
LASER SPECTROSCOPY
METALS
MINERALS
NEODYMIUM COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
RARE EARTH COMPOUNDS
RARE EARTHS
SCATTERING
SPECTROSCOPY
SYMMETRY GROUPS