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Neutron Powder Diffraction Investigation of Pd2.7Ni0.3P0.94
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
2004 (English)In: Materials Science Forum, ISSN 0255-5476, E-ISSN 1662-9752, Vol. 443-444, 353-356 p.Article in journal (Refereed) Published
Abstract [en]

Pd3P, which crystallises in the cementite, Fe3C-type structure, forms a solid solution with nickel. The crystal structure contains two crystallographically different palladium sites (8d and 4c). Refinements of neutron powder diffraction intensities using the Rietveld method show that all nickel atoms occupy the eight-fold position. The unit cell parameters were refined to a=5.7812(4) Å, b=7.4756(6) Å and c=5.1376(4) Å, for Pd2.7Ni0.3P0.94.

Place, publisher, year, edition, pages
2004. Vol. 443-444, 353-356 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:uu:diva-90553DOI: 10.4028/www.scientific.net/MSF.443-444.353OAI: oai:DiVA.org:uu-90553DiVA: diva2:162941
Available from: 2003-05-16 Created: 2003-05-16 Last updated: 2017-12-14Bibliographically approved
In thesis
1. Crystal Chemistry of the Ti3Sn-D, Nb4MSi-D and Pd-Ni-P Systems
Open this publication in new window or tab >>Crystal Chemistry of the Ti3Sn-D, Nb4MSi-D and Pd-Ni-P Systems
2003 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Future energy systems based on hydrogen as energy carrier require reliable ways for storing hydrogen gas in safe, clean and efficient ways. Metal hydrides absorb hydrogen gas reversibly, making them suitable for storage applications. Investigations of the crystal structures of these materials contribute to an understanding of the factors which can influence the absorption.

Three systems, Ti3Sn-D, Nb4MSi-D (M=Co or Ni) and Pd-Ni-P, have been investigated in this thesis. Various solid state synthesis techniques have been used for sample preparation. The crystal structures have been studied using x-ray and neutron diffraction techniques.

Three metal hydride phases were found in the Ti3Sn-D system upon hydrogenation. Deuterium occupies titanium octahedra and the applied deuterium pressure induces the phase transitions. The distances between the deuterium atoms increase from 2.47 Å in orthorhombic Ti3SnD0.80 to 4.17 Å in cubic Ti3SnD.

The Nb4MSi-D system (M=Co or Ni) readily absorbs deuterium at room temperature and 90 kPa deuterium pressure to give a deuterium content of Nb4MSiD~2.5. Two interstitial voids, both coordinated by four niobium atoms arranged in a tetrahedral configuration, accommodate deuterium atoms.

Two ternary phases and a solid solution of nickel in Pd3P have been synthesised and the crystal structures determined. PdNi2P is orthorhombic and crystallises in the MgCuAl2-type structure: an ordered derivative of the Re3B-type structure. Pd8Ni31P16 is a tetragonal high-temperature phase stable at 700°C with 110 atoms in the unit cell. Pd2.7Ni0.3P0.94 has the cementite-type structure with mixed occupancy of palladium and nickel at one of the two non-equivalent crystallographic metal positions.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2003. 37 p.
Series
Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1104-232X ; 846
Keyword
Inorganic chemistry, metal hydride, energy carrier, crystal structure, diffraction, transition metal phosphide, Oorganisk kemi
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
urn:nbn:se:uu:diva-3466 (URN)91-554-5649-9 (ISBN)
Public defence
2003-06-06, Polhemsalen, Ångström Laboratory, Uppsala, 10:15
Opponent
Supervisors
Available from: 2003-05-16 Created: 2003-05-16 Last updated: 2012-03-28Bibliographically approved

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