Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2

Solodovnikov SF , Atuchin VV 1 , Solodovnikova ZA , Khyzhun OY 2 , Danylenko MI 2 , Pishchur DP Show all authors , Plyusnin PE , Pugachev AM 3 , Gavrilova TA , Yelisseyev AP 4 , Reshak AH 5 , Alahmed ZA 6 , Habubi NF 7

Affiliations 

  • 1 Functional Electronics Laboratory, Tomsk State University , Tomsk 634050, Russia
  • 2 Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine , 3 Krzhyzhanivsky Street, Kyiv UA-03142, Ukraine
  • 3 Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS , Novosibirsk 90, 630090, Russia
  • 4 Laboratory of High Pressure Minerals and Diamond Deposits, Institute of Geology and Mineralogy, SB RAS , Novosibirsk 630090, Russia
  • 5 New Technologies - Research Centre, University of West Bohemia , Univerzitni 8, 306 14 Pilsen, Czech Republic
  • 6 Department of Physics and Astronomy, College of Science, King Saud University , P.O. Box 2455, Riyadh 11451, Saudi Arabia
  • 7 Physics Department, Education Faculty, University of Al-Mustansiriyah , Baghdad, Iraq
Inorg Chem, 2017 Mar 20;56(6):3276-3286.
PMID: 28266857 DOI: 10.1021/acs.inorgchem.6b02653

Abstract

Cs2Pb(MoO4)2crystals were prepared by crystallization from their own melt, and the crystal structure has been studied in detail. At 296 K, the molybdate crystallizes in the low-temperature α-form and has a monoclinic palmierite-related superstructure (space group C2/m, a = 2.13755(13) nm, b = 1.23123(8) nm, c = 1.68024(10) nm, β = 115.037(2)°, Z = 16) possessing the largest unit cell volume, 4.0066(4) nm3, among lead-containing palmierites. The compound undergoes a distortive phase transition at 635 K and incongruently melts at 943 K. The electronic structure of α-Cs2Pb(MoO4)2was explored by using X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy methods. For α-Cs2Pb(MoO4)2, the photoelectron core-level and valence-band spectra and the XES band representing the energy distribution of Mo 4d and O 2p states were recorded. Our results allow one to conclude that the Mo 4d and O 2p states contribute mainly to the central part and at the top of the valence band, respectively, with also significant contributions throughout the whole valence-band region of the molybdate under consideration.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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