Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2. / Solodovnikov, Sergey F.; Atuchin, Victor V.; Solodovnikova, Zoya A. и др.
в: Inorganic Chemistry, Том 56, № 6, 20.03.2017, стр. 3276-3286.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2
AU - Solodovnikov, Sergey F.
AU - Atuchin, Victor V.
AU - Solodovnikova, Zoya A.
AU - Khyzhun, Oleg Y.
AU - Danylenko, Mykola I.
AU - Pishchur, Denis P.
AU - Plyusnin, Pavel E.
AU - Pugachev, Alexey M.
AU - Gavrilova, Tatiana A.
AU - Yelisseyev, Alexander P.
AU - Reshak, Ali H.
AU - Alahmed, Zeyad A.
AU - Habubi, Nadir F.
N1 - Publisher Copyright: © 2017 American Chemical Society.
PY - 2017/3/20
Y1 - 2017/3/20
N2 - Cs2Pb(MoO4)2 crystals 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)2 was 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.
AB - Cs2Pb(MoO4)2 crystals 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)2 was 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.
KW - X-RAY SPECTROSCOPY
KW - OPTICAL-PROPERTIES
KW - PHASE-TRANSITIONS
KW - CRYSTAL-STRUCTURE
KW - 1ST-PRINCIPLES
KW - TUNGSTATES
KW - LAPW
KW - XPS
KW - BETA-RBND(MOO4)(2)
KW - PHOSPHATE
UR - http://www.scopus.com/inward/record.url?scp=85015807147&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.6b02653
DO - 10.1021/acs.inorgchem.6b02653
M3 - Article
C2 - 28266857
AN - SCOPUS:85015807147
VL - 56
SP - 3276
EP - 3286
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 6
ER -
ID: 9028590