Structural, mechanical, spectroscopic and thermodynamic characterization of the copper-uranyl tetrahydroxide mineral vandenbrandeite

Author:

Colmenero Francisco123ORCID,Plášil Jakub456ORCID,Cobos Joaquín783ORCID,Sejkora Jiří9106ORCID,Timón Vicente123ORCID,Čejka Jiří9106,Fernández Ana María783ORCID,Petříček Václav456ORCID

Affiliation:

1. Instituto de Estructura de la Materia (IEM-CSIC)

2. 28006 Madrid

3. Spain

4. Institute of Physics ASCR, v.v.i.

5. Praha 8

6. Czech Republic

7. Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT)

8. 28040 – Madrid

9. Mineralogicko-petrologické oddělení, Národní Muzeum

10. 193 00 Praha 9

Abstract

The experimental full crystal structure of vandenbrandeite is stablished for the first time and verified using first-principles methods. A detailed mechanical, spectroscopic and thermodynamic characterization is obtained from the optimized structure.

Funder

Ministerstvo Kultury

Ministerio de Ciencia, Innovación y Universidades

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference197 articles.

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3. On the corrosion of copper in pure water

4. P.Wersin , K.Spahiu and J.Bruno , Kinetic modelling of bentonite-canister interaction. Long-term predictions of copper canister corrosion under oxic and anoxic conditions , Technical Report SKB-TR-94-25, Swedish Nuclear Fuel and Waste Management Company , Stockholm , 1994

5. Chemical Durability of Copper Canisters Under Crystalline Bedrock Repository Conditions

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