Crystallographic Analysis of TiO2 Polymorphism (Brookite, Anatase, Rutile)

S. V. Borisov; S. A. Magarill; N. V. Pervukhina

doi:10.1134/S0022476619110118

Crystallographic Analysis of TiO₂ Polymorphism (Brookite, Anatase, Rutile)

S. V. Borisov, S. A. Magarill, N. V. Pervukhina

Лаборатория полупроводниковых и диэлектрических материалов ФФ

Результат исследования: Научные публикации в периодических изданиях › статья

Аннотация

Crystallographic analysis of three TiO₂ structures shows that all of them have a rhombohedral anion sublattice close to their cubic closest packing. In brookite it competes with the hexagonal packing, and the packing of TiO₆ octahedra is less regular. High symmetry of anatase and rutile is initiated by the local (cubic) symmetry of TiO₆ octahedra. Cations occupy most symmetrical special positions and provide a coherent assembly of these “building units” by spreading the local symmetry over the entire structure.

Язык оригинала	английский
Страницы (с-по)	1783-1789
Число страниц	7
Журнал	Journal of Structural Chemistry
Том	60
Номер выпуска	11
DOI	https://doi.org/10.1134/S0022476619110118
Состояние	Опубликовано - 1 ноя 2019

Доступ к документу

10.1134/S0022476619110118

Link to publication in Scopus

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Цитировать

Borisov, S. V., Magarill, S. A., & Pervukhina, N. V. (2019). Crystallographic Analysis of TiO₂ Polymorphism (Brookite, Anatase, Rutile). Journal of Structural Chemistry, 60(11), 1783-1789. https://doi.org/10.1134/S0022476619110118

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abstract = "Crystallographic analysis of three TiO2 structures shows that all of them have a rhombohedral anion sublattice close to their cubic closest packing. In brookite it competes with the hexagonal packing, and the packing of TiO6 octahedra is less regular. High symmetry of anatase and rutile is initiated by the local (cubic) symmetry of TiO6 octahedra. Cations occupy most symmetrical special positions and provide a coherent assembly of these “building units” by spreading the local symmetry over the entire structure.",

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N2 - Crystallographic analysis of three TiO2 structures shows that all of them have a rhombohedral anion sublattice close to their cubic closest packing. In brookite it competes with the hexagonal packing, and the packing of TiO6 octahedra is less regular. High symmetry of anatase and rutile is initiated by the local (cubic) symmetry of TiO6 octahedra. Cations occupy most symmetrical special positions and provide a coherent assembly of these “building units” by spreading the local symmetry over the entire structure.

AB - Crystallographic analysis of three TiO2 structures shows that all of them have a rhombohedral anion sublattice close to their cubic closest packing. In brookite it competes with the hexagonal packing, and the packing of TiO6 octahedra is less regular. High symmetry of anatase and rutile is initiated by the local (cubic) symmetry of TiO6 octahedra. Cations occupy most symmetrical special positions and provide a coherent assembly of these “building units” by spreading the local symmetry over the entire structure.

KW - anatase

KW - brookite

KW - cation and anion sublattices

KW - coherent assembly

KW - crystallographic analysis

KW - rutile

KW - symmetry–stability

KW - TiO polymorphism

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