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

被引：36

作者：

Solodovnikov, Sergey F. ^{[1
,4
]}

Atuchin, Victor V. ^{[5
,6
,8
,9
,10
]}

Solodovnikova, Zoya A. ^{[1
]}

Khyzhun, Oleg Y. ^{[11
]}

Danylenko, Mykola I. ^{[11
]}

Pishchur, Denis P. ^{[2
]}

Plyusnin, Pavel E. ^{[4
,15
]}

Pugachev, Alexey M. ^{[12
]}

Gavrilova, Tatiana A. ^{[7
]}

Yelisseyev, Alexander P. ^{[13
]}

Reshak, Ali H. ^{[14
,15
]}

Alahmed, Zeyad A. ^{[3
,16
]}

Habubi, Nadir F. ^{[17
]}

机构：

[1] SB RAS, Nikolaev Inst Inorgan Chem, Lab Crystal Chem, Novosibirsk 630090, Russia

[2] SB RAS, Nikolaev Inst Inorgan Chem, Lab Phys Chem Condensed Matter, Novosibirsk 630090, Russia

[3] SB RAS, Nikolaev Inst Inorgan Chem, Lab Rare Platinum Grp Met, Novosibirsk 630090, Russia

[4] Novosibirsk State Univ, Dept Nat Sci, Novosibirsk 630090, Russia

[5] Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

[6] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia

[7] SB RAS, Inst Semicond Phys, Lab Nanodiagnost & Nanolithog, Novosibirsk 630090, Russia

[8] Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia

[9] South Ural State Univ, Lab Single Crystal Growth, Chelyabinsk 454080, Russia

[10] Tyumen State Univ, Inst Chem, Tyumen 525003, Russia

[11] Natl Acad Sci Ukraine, Frantsevich Inst Problems Mat Sci, 3 Krzhyzhanivsky St, UA-03142 Kiev, Ukraine

[12] SB RAS, Inst Automat & Elect, Lab Condensed Matter Spect, Novosibirsk 90, Novosibirsk 630090, Russia

[13] SB RAS, Inst Geol & Mineral, Lab High Pressure Minerals & Diamond Deposits, Novosibirsk 630090, Russia

[14] Univ West Bohemia, New Technol Res Ctr, Univ 8, Plzen 30614, Czech Republic

[15] Univ Malaysia Perlis, Sch Mat Engn, Kangar 01007, Perlis, Malaysia

[16] King Saud Univ, Coll Sci, Dept Phys & Astron, POB 2455, Riyadh 11451, Saudi Arabia

[17] Univ Al Mustansiriyah, Fac Educ, Dept Phys, Baghdad, Iraq

来源：

INORGANIC CHEMISTRY | 2017年 / 56卷 / 06期

关键词：

X-RAY SPECTROSCOPY; OPTICAL-PROPERTIES; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; 1ST-PRINCIPLES; TUNGSTATES; LAPW; XPS; BETA-RBND(MOO4)(2); PHOSPHATE;

D O I：

10.1021/acs.inorgchem.6b02653

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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 a-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) run, beta = 115.037(2)degrees, Z = 16) possessing the largest unit cell volume, 4.0066(4) nm(3), among lead-containing palmierites. The compound undergoes a distortive phase transition at 635 K and incongruently melts at 943 K. The electronic structure of alpha-Cs2Pb(MoO4)(2) was explored by using X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy methods. For alpha-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 0 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.

引用

页码：3276 / 3286

页数：11

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