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Title: NdHO, a novel oxyhydride

Abstract

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 Ramanmore » spectroscopy.« less

Authors:
 [1];  [1];  [2];  [1];  [3];  [4]
  1. University of Oslo, Centre for Materials Science and Nanotechnology, Department of Chemistry, NO-0315 Oslo (Norway)
  2. (Norway)
  3. Riso DTU, National Laboratory for Sustainable Energy, DK-4000 Roskilde (Denmark)
  4. Department of Chemistry, DTU, DK-2800, Lyngby (Denmark)
Publication Date:
OSTI Identifier:
21580139
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 184; Journal 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.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Wideroe, Marius, Fjellvag, Helmer, Institute for Energy Technology, NO-2027, Kjeller, Norby, Truls, Willy Poulsen, Finn, and Willestofte Berg, Rolf, E-mail: rwb@kemi.dtu.dk. NdHO, a novel oxyhydride. United States: N. p., 2011. Web. doi:10.1016/j.jssc.2011.05.025.
Wideroe, Marius, Fjellvag, Helmer, Institute for Energy Technology, NO-2027, Kjeller, Norby, Truls, Willy Poulsen, Finn, & Willestofte Berg, Rolf, E-mail: rwb@kemi.dtu.dk. NdHO, a novel oxyhydride. United States. doi:10.1016/j.jssc.2011.05.025.
Wideroe, Marius, Fjellvag, Helmer, Institute for Energy Technology, NO-2027, Kjeller, Norby, Truls, Willy Poulsen, Finn, and Willestofte Berg, Rolf, E-mail: rwb@kemi.dtu.dk. Fri . "NdHO, a novel oxyhydride". United States. doi:10.1016/j.jssc.2011.05.025.
@article{osti_21580139,
title = {NdHO, a novel oxyhydride},
author = {Wideroe, Marius and Fjellvag, Helmer and Institute for Energy Technology, NO-2027, Kjeller and Norby, Truls and Willy Poulsen, Finn and Willestofte Berg, Rolf, E-mail: rwb@kemi.dtu.dk},
abstractNote = {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.},
doi = {10.1016/j.jssc.2011.05.025},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 7,
volume = 184,
place = {United States},
year = {2011},
month = {7}
}