Structural Studies and Thermal Analysis in the Cs2MoO4-PbMoO4 System with Elucidation of β-Cs2Pb(MoO4)2

Andries van Hattem; John Vlieland; Robert Dankelman; Michel A. Thijs; Gilles Wallez; Kathy Dardenne; Jörg Rothe; Rudy J.M. Konings; Anna L. Smith

doi:10.1021/acs.inorgchem.3c00241

Structural Studies and Thermal Analysis in the Cs₂MoO₄-PbMoO₄ System with Elucidation of β-Cs₂Pb(MoO₄)₂

Andries van Hattem, John Vlieland, Robert Dankelman, Michel A. Thijs, Gilles Wallez, Kathy Dardenne, Jörg Rothe, Rudy J.M. Konings, Anna L. Smith^*

^*Corresponding author for this work

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Abstract

The quaternary compound Cs₂Pb(MoO₄)₂ was synthesized and its structure was characterized using X-ray and neutron diffraction from 298 to 773 K, while thermal expansion was studied from 298 to 723 K. The crystal structure of the high-temperature phase β-Cs₂Pb(MoO₄)₂ was elucidated, and it was found to crystallize in the space group R3̅m (No. 166), i.e., with a palmierite structure. In addition, the oxidation state of Mo in the low-temperature phase α-Cs₂Pb(MoO₄)₂ was studied using X-ray absorption near-edge structure spectroscopy. Phase diagram equilibrium measurements in the Cs₂MoO₄-PbMoO₄ system were performed, revisiting a previously reported phase diagram. The equilibrium phase diagram proposed here includes a different composition of the intermediate compound in this system. The obtained data can serve as relevant information for thermodynamic modeling in view of the safety assessment of next-generation lead-cooled fast reactors.

Original language	English
Pages (from-to)	6981-6992
Number of pages	12
Journal	Inorganic Chemistry
Volume	62
Issue number	18
DOIs	https://doi.org/10.1021/acs.inorgchem.3c00241
Publication status	Published - 2023

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10.1021/acs.inorgchem.3c00241

acs.inorgchem.3c00241Final published version, 4.54 MBLicence: CC BY

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@article{860d88c490484115a7a42716c6df78ae,

title = "Structural Studies and Thermal Analysis in the Cs2MoO4-PbMoO4 System with Elucidation of β-Cs2Pb(MoO4)2",

abstract = "The quaternary compound Cs2Pb(MoO4)2 was synthesized and its structure was characterized using X-ray and neutron diffraction from 298 to 773 K, while thermal expansion was studied from 298 to 723 K. The crystal structure of the high-temperature phase β-Cs2Pb(MoO4)2 was elucidated, and it was found to crystallize in the space group R3̅m (No. 166), i.e., with a palmierite structure. In addition, the oxidation state of Mo in the low-temperature phase α-Cs2Pb(MoO4)2 was studied using X-ray absorption near-edge structure spectroscopy. Phase diagram equilibrium measurements in the Cs2MoO4-PbMoO4 system were performed, revisiting a previously reported phase diagram. The equilibrium phase diagram proposed here includes a different composition of the intermediate compound in this system. The obtained data can serve as relevant information for thermodynamic modeling in view of the safety assessment of next-generation lead-cooled fast reactors.",

author = "{van Hattem}, Andries and John Vlieland and Robert Dankelman and Thijs, {Michel A.} and Gilles Wallez and Kathy Dardenne and J{\"o}rg Rothe and Konings, {Rudy J.M.} and Smith, {Anna L.}",

year = "2023",

doi = "10.1021/acs.inorgchem.3c00241",

language = "English",

volume = "62",

pages = "6981--6992",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society (ACS)",

number = "18",

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T1 - Structural Studies and Thermal Analysis in the Cs2MoO4-PbMoO4 System with Elucidation of β-Cs2Pb(MoO4)2

AU - van Hattem, Andries

AU - Vlieland, John

AU - Dankelman, Robert

AU - Thijs, Michel A.

AU - Wallez, Gilles

AU - Dardenne, Kathy

AU - Rothe, Jörg

AU - Konings, Rudy J.M.

AU - Smith, Anna L.

PY - 2023

Y1 - 2023

N2 - The quaternary compound Cs2Pb(MoO4)2 was synthesized and its structure was characterized using X-ray and neutron diffraction from 298 to 773 K, while thermal expansion was studied from 298 to 723 K. The crystal structure of the high-temperature phase β-Cs2Pb(MoO4)2 was elucidated, and it was found to crystallize in the space group R3̅m (No. 166), i.e., with a palmierite structure. In addition, the oxidation state of Mo in the low-temperature phase α-Cs2Pb(MoO4)2 was studied using X-ray absorption near-edge structure spectroscopy. Phase diagram equilibrium measurements in the Cs2MoO4-PbMoO4 system were performed, revisiting a previously reported phase diagram. The equilibrium phase diagram proposed here includes a different composition of the intermediate compound in this system. The obtained data can serve as relevant information for thermodynamic modeling in view of the safety assessment of next-generation lead-cooled fast reactors.

AB - The quaternary compound Cs2Pb(MoO4)2 was synthesized and its structure was characterized using X-ray and neutron diffraction from 298 to 773 K, while thermal expansion was studied from 298 to 723 K. The crystal structure of the high-temperature phase β-Cs2Pb(MoO4)2 was elucidated, and it was found to crystallize in the space group R3̅m (No. 166), i.e., with a palmierite structure. In addition, the oxidation state of Mo in the low-temperature phase α-Cs2Pb(MoO4)2 was studied using X-ray absorption near-edge structure spectroscopy. Phase diagram equilibrium measurements in the Cs2MoO4-PbMoO4 system were performed, revisiting a previously reported phase diagram. The equilibrium phase diagram proposed here includes a different composition of the intermediate compound in this system. The obtained data can serve as relevant information for thermodynamic modeling in view of the safety assessment of next-generation lead-cooled fast reactors.

UR - http://www.scopus.com/inward/record.url?scp=85156190594&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.3c00241

DO - 10.1021/acs.inorgchem.3c00241

M3 - Article

AN - SCOPUS:85156190594

SN - 0020-1669

VL - 62

SP - 6981

EP - 6992

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 18

ER -

Structural Studies and Thermal Analysis in the Cs₂MoO₄-PbMoO₄ System with Elucidation of β-Cs₂Pb(MoO₄)₂

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PASCAL: Proof of augmented safety conditions in advanced liquid-metal-cooled systems

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Structural Studies and Thermal Analysis in the Cs2MoO4-PbMoO4 System with Elucidation of β-Cs2Pb(MoO4)2

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Structural Studies and Thermal Analysis in the Cs₂MoO₄-PbMoO₄ System with Elucidation of β-Cs₂Pb(MoO₄)₂