High-Temperature Crystal Chemistry of α-, β-, and γ-BiNbO4 Polymorphs

Nadezhda A. Zhuk, Maria G. Krzhizhanovskaya, Vladimir A. Belyy, Boris A. Makeev

Результат исследований: Научные публикации в периодических изданияхстатья

2 Цитирования (Scopus)

Выдержка

Thermal behavior of the orthorhombic (α) and triclinic (β) polymorphs of BiNbO4 was studied by the methods of high-temperature powder X-ray diffraction (HTPXRD) and differential scanning calorimetry (DCS) in the temperature range 25-1200 °C. The study revealed the sequence of thermal phase transformations and the new high-temperature modification, γ-BiNbO4, which was formed above 1001 °C and existed up to the melting temperature of BiNbO4. The incongruent melting of BiNbO4 was characterized by the formation of the cubic phase with the approximate composition Bi3NbO7. The HTPXRD method was used in this study to evaluate thermal deformations and to calculate thermal-expansion coefficients (TEC) of the three modifications of BiNbO4 (α, β, and γ). The average volumetric TECs of these three modifications were in the range 19-36 × 10-6 °C-1. The triclinic phase β-BiNbO4 demonstrated the highest anisotropy of thermal expansion. α-BiNbO4 was characterized by the minimal TEC and anisotropy, which indicated its greatest stability. The crystal structure of γ-BiNbO4 was determined at 1100 °C using powder data and was refined using the Rietveld method (the α-LaTaO4 structural type, the space group Cmc21, a = 3.95440(3) Å, b = 15.0899(1) Å, c = 5.65524(5) Å, V = 337.458(5) Å3, Rwp = 4.82, RBragg = 3.61%). The methods of thermal analysis and high-temperature powder X-ray diffraction revealed that, during the heating, bismuth orthoniobate underwent the following sequence of phase transitions: α-BiNbO4 → γ-BiNbO4 → β-BiNbO4 and β-BiNbO4 → γ-BiNbO4 → β-BiNbO4 or, at slow heating, β-BiNbO4 → (α-BiNbO4) → γ-BiNbO4 → β-BiNbO4, where γ-BiNbO4 is the high-temperature phase of bismuth orthoniobate.

Язык оригиналаанглийский
Страницы (с-по)1518-1526
Число страниц9
ЖурналInorganic Chemistry
Том58
Номер выпуска2
DOI
СостояниеОпубликовано - 22 янв 2019

Отпечаток

Crystal chemistry
Polymorphism
chemistry
thermal expansion
X ray powder diffraction
crystals
Thermal expansion
Bismuth
bismuth
Temperature
diffraction
melting
Anisotropy
Phase transitions
anisotropy
heating
x rays
Heating
Rietveld method
coefficients

Предметные области Scopus

  • Физическая и теоретическая химия
  • Неорганическая химия

Цитировать

Zhuk, Nadezhda A. ; Krzhizhanovskaya, Maria G. ; Belyy, Vladimir A. ; Makeev, Boris A. / High-Temperature Crystal Chemistry of α-, β-, and γ-BiNbO4 Polymorphs. В: Inorganic Chemistry. 2019 ; Том 58, № 2. стр. 1518-1526.
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abstract = "Thermal behavior of the orthorhombic (α) and triclinic (β) polymorphs of BiNbO4 was studied by the methods of high-temperature powder X-ray diffraction (HTPXRD) and differential scanning calorimetry (DCS) in the temperature range 25-1200 °C. The study revealed the sequence of thermal phase transformations and the new high-temperature modification, γ-BiNbO4, which was formed above 1001 °C and existed up to the melting temperature of BiNbO4. The incongruent melting of BiNbO4 was characterized by the formation of the cubic phase with the approximate composition Bi3NbO7. The HTPXRD method was used in this study to evaluate thermal deformations and to calculate thermal-expansion coefficients (TEC) of the three modifications of BiNbO4 (α, β, and γ). The average volumetric TECs of these three modifications were in the range 19-36 × 10-6 °C-1. The triclinic phase β-BiNbO4 demonstrated the highest anisotropy of thermal expansion. α-BiNbO4 was characterized by the minimal TEC and anisotropy, which indicated its greatest stability. The crystal structure of γ-BiNbO4 was determined at 1100 °C using powder data and was refined using the Rietveld method (the α-LaTaO4 structural type, the space group Cmc21, a = 3.95440(3) {\AA}, b = 15.0899(1) {\AA}, c = 5.65524(5) {\AA}, V = 337.458(5) {\AA}3, Rwp = 4.82, RBragg = 3.61{\%}). The methods of thermal analysis and high-temperature powder X-ray diffraction revealed that, during the heating, bismuth orthoniobate underwent the following sequence of phase transitions: α-BiNbO4 → γ-BiNbO4 → β-BiNbO4 and β-BiNbO4 → γ-BiNbO4 → β-BiNbO4 or, at slow heating, β-BiNbO4 → (α-BiNbO4) → γ-BiNbO4 → β-BiNbO4, where γ-BiNbO4 is the high-temperature phase of bismuth orthoniobate.",
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High-Temperature Crystal Chemistry of α-, β-, and γ-BiNbO4 Polymorphs. / Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Makeev, Boris A.

В: Inorganic Chemistry, Том 58, № 2, 22.01.2019, стр. 1518-1526.

Результат исследований: Научные публикации в периодических изданияхстатья

TY - JOUR

T1 - High-Temperature Crystal Chemistry of α-, β-, and γ-BiNbO4 Polymorphs

AU - Zhuk, Nadezhda A.

AU - Krzhizhanovskaya, Maria G.

AU - Belyy, Vladimir A.

AU - Makeev, Boris A.

PY - 2019/1/22

Y1 - 2019/1/22

N2 - Thermal behavior of the orthorhombic (α) and triclinic (β) polymorphs of BiNbO4 was studied by the methods of high-temperature powder X-ray diffraction (HTPXRD) and differential scanning calorimetry (DCS) in the temperature range 25-1200 °C. The study revealed the sequence of thermal phase transformations and the new high-temperature modification, γ-BiNbO4, which was formed above 1001 °C and existed up to the melting temperature of BiNbO4. The incongruent melting of BiNbO4 was characterized by the formation of the cubic phase with the approximate composition Bi3NbO7. The HTPXRD method was used in this study to evaluate thermal deformations and to calculate thermal-expansion coefficients (TEC) of the three modifications of BiNbO4 (α, β, and γ). The average volumetric TECs of these three modifications were in the range 19-36 × 10-6 °C-1. The triclinic phase β-BiNbO4 demonstrated the highest anisotropy of thermal expansion. α-BiNbO4 was characterized by the minimal TEC and anisotropy, which indicated its greatest stability. The crystal structure of γ-BiNbO4 was determined at 1100 °C using powder data and was refined using the Rietveld method (the α-LaTaO4 structural type, the space group Cmc21, a = 3.95440(3) Å, b = 15.0899(1) Å, c = 5.65524(5) Å, V = 337.458(5) Å3, Rwp = 4.82, RBragg = 3.61%). The methods of thermal analysis and high-temperature powder X-ray diffraction revealed that, during the heating, bismuth orthoniobate underwent the following sequence of phase transitions: α-BiNbO4 → γ-BiNbO4 → β-BiNbO4 and β-BiNbO4 → γ-BiNbO4 → β-BiNbO4 or, at slow heating, β-BiNbO4 → (α-BiNbO4) → γ-BiNbO4 → β-BiNbO4, where γ-BiNbO4 is the high-temperature phase of bismuth orthoniobate.

AB - Thermal behavior of the orthorhombic (α) and triclinic (β) polymorphs of BiNbO4 was studied by the methods of high-temperature powder X-ray diffraction (HTPXRD) and differential scanning calorimetry (DCS) in the temperature range 25-1200 °C. The study revealed the sequence of thermal phase transformations and the new high-temperature modification, γ-BiNbO4, which was formed above 1001 °C and existed up to the melting temperature of BiNbO4. The incongruent melting of BiNbO4 was characterized by the formation of the cubic phase with the approximate composition Bi3NbO7. The HTPXRD method was used in this study to evaluate thermal deformations and to calculate thermal-expansion coefficients (TEC) of the three modifications of BiNbO4 (α, β, and γ). The average volumetric TECs of these three modifications were in the range 19-36 × 10-6 °C-1. The triclinic phase β-BiNbO4 demonstrated the highest anisotropy of thermal expansion. α-BiNbO4 was characterized by the minimal TEC and anisotropy, which indicated its greatest stability. The crystal structure of γ-BiNbO4 was determined at 1100 °C using powder data and was refined using the Rietveld method (the α-LaTaO4 structural type, the space group Cmc21, a = 3.95440(3) Å, b = 15.0899(1) Å, c = 5.65524(5) Å, V = 337.458(5) Å3, Rwp = 4.82, RBragg = 3.61%). The methods of thermal analysis and high-temperature powder X-ray diffraction revealed that, during the heating, bismuth orthoniobate underwent the following sequence of phase transitions: α-BiNbO4 → γ-BiNbO4 → β-BiNbO4 and β-BiNbO4 → γ-BiNbO4 → β-BiNbO4 or, at slow heating, β-BiNbO4 → (α-BiNbO4) → γ-BiNbO4 → β-BiNbO4, where γ-BiNbO4 is the high-temperature phase of bismuth orthoniobate.

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U2 - 10.1021/acs.inorgchem.8b03024

DO - 10.1021/acs.inorgchem.8b03024

M3 - Article

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VL - 58

SP - 1518

EP - 1526

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

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ER -