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Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2. / Solodovnikov, Sergey F.; Atuchin, Victor V.; Solodovnikova, Zoya A. et al.

In: Inorganic Chemistry, Vol. 56, No. 6, 20.03.2017, p. 3276-3286.

Research output: Contribution to journal › Article › peer-review

Harvard

Solodovnikov, SF, Atuchin, VV, Solodovnikova, ZA, Khyzhun, OY, Danylenko, MI, Pishchur, DP, Plyusnin, PE, Pugachev, AM, Gavrilova, TA, Yelisseyev, AP, Reshak, AH, Alahmed, ZA & Habubi, NF 2017, 'Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2', Inorganic Chemistry, vol. 56, no. 6, pp. 3276-3286. https://doi.org/10.1021/acs.inorgchem.6b02653

APA

Solodovnikov, S. F., Atuchin, V. V., Solodovnikova, Z. A., Khyzhun, O. Y., Danylenko, M. I., Pishchur, D. P., Plyusnin, P. E., Pugachev, A. M., Gavrilova, T. A., Yelisseyev, A. P., Reshak, A. H., Alahmed, Z. A., & Habubi, N. F. (2017). Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2. Inorganic Chemistry, 56(6), 3276-3286. https://doi.org/10.1021/acs.inorgchem.6b02653

Vancouver

Solodovnikov SF, Atuchin VV, Solodovnikova ZA, Khyzhun OY, Danylenko MI, Pishchur DP et al. Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2. Inorganic Chemistry. 2017 Mar 20;56(6):3276-3286. doi: 10.1021/acs.inorgchem.6b02653

Author

Solodovnikov, Sergey F. ; Atuchin, Victor V. ; Solodovnikova, Zoya A. et al. / Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2. In: Inorganic Chemistry. 2017 ; Vol. 56, No. 6. pp. 3276-3286.

BibTeX

@article{14d3af068be447a8a42fa2d0e62baeb1,
title = "Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α-Cs2Pb(MoO4)2",
abstract = "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.",
keywords = "X-RAY SPECTROSCOPY, OPTICAL-PROPERTIES, PHASE-TRANSITIONS, CRYSTAL-STRUCTURE, 1ST-PRINCIPLES, TUNGSTATES, LAPW, XPS, BETA-RBND(MOO4)(2), PHOSPHATE",
author = "Solodovnikov, {Sergey F.} and Atuchin, {Victor V.} and Solodovnikova, {Zoya A.} and Khyzhun, {Oleg Y.} and Danylenko, {Mykola I.} and Pishchur, {Denis P.} and Plyusnin, {Pavel E.} and Pugachev, {Alexey M.} and Gavrilova, {Tatiana A.} and Yelisseyev, {Alexander P.} and Reshak, {Ali H.} and Alahmed, {Zeyad A.} and Habubi, {Nadir F.}",
note = "Publisher Copyright: {\textcopyright} 2017 American Chemical Society.",
year = "2017",
month = mar,
day = "20",
doi = "10.1021/acs.inorgchem.6b02653",
language = "English",
volume = "56",
pages = "3276--3286",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "6",

}

RIS

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