uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
The crystal structure of PdNi2P and Pd8Ni31P16
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry.
Manuscript (Other academic)
URN: urn:nbn:se:uu:diva-90554OAI: oai:DiVA.org:uu-90554DiVA: diva2:162942
Available from: 2003-05-16 Created: 2003-05-16 Last updated: 2010-01-13Bibliographically 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.
Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1104-232X ; 846
Inorganic chemistry, metal hydride, energy carrier, crystal structure, diffraction, transition metal phosphide, Oorganisk kemi
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
urn:nbn:se:uu:diva-3466 (URN)91-554-5649-9 (ISBN)
Public defence
2003-06-06, Polhemsalen, Ångström Laboratory, Uppsala, 10:15
Available from: 2003-05-16 Created: 2003-05-16 Last updated: 2012-03-28Bibliographically approved

Open Access in DiVA

No full text

By organisation
Department of Materials Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 194 hits
ReferencesLink to record
Permanent link

Direct link