Structural analysis of molten V2O5

Hideki Morikawa; Michihiro Miyake; Shin Ichi Iwai; Kazuo Furukawa; Alex Revcolevschi

doi:10.1039/F19817700361

Structural analysis of molten V₂O₅

Hideki Morikawa, Michihiro Miyake, Shin Ichi Iwai, Kazuo Furukawa, Alex Revcolevschi

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Abstract

The structure of molten V₂O₅ has been investigated using a radial distribution function based on X-ray scattered intensity data collected at 750°C; analysis was by the correlation method. The average V-O distance of 1.75 Å in the melt is shorter than that of 1.82 Å in the crystal and the coordination number of 3.9 in the melt is smaller than that of 5.0 in the crystal. The most probable model for molten V₂O₅ is similar to the crystal structure of P₂O₅ or SiO₂. Each VO₄ tetrahedron is surrounded by three VO₄ tetrahedra and the V-V distance of 3.44 Å is almost equal to twice the V-O distance. The estimated density of the model assuming the cristoballite-like structure is 2.4 g cm^-3, while the measured density is 2.15 g cm^-3.

Original language	English
Pages (from-to)	361-367
Number of pages	7
Journal	Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases
Volume	77
Issue number	2
DOIs	https://doi.org/10.1039/F19817700361
Publication status	Published - Dec 1 1981
Externally published	Yes

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Chemistry(all)

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title = "Structural analysis of molten V2O5",

abstract = "The structure of molten V2O5 has been investigated using a radial distribution function based on X-ray scattered intensity data collected at 750°C; analysis was by the correlation method. The average V-O distance of 1.75 {\AA} in the melt is shorter than that of 1.82 {\AA} in the crystal and the coordination number of 3.9 in the melt is smaller than that of 5.0 in the crystal. The most probable model for molten V2O5 is similar to the crystal structure of P2O5 or SiO2. Each VO4 tetrahedron is surrounded by three VO4 tetrahedra and the V-V distance of 3.44 {\AA} is almost equal to twice the V-O distance. The estimated density of the model assuming the cristoballite-like structure is 2.4 g cm-3, while the measured density is 2.15 g cm-3.",

author = "Hideki Morikawa and Michihiro Miyake and Iwai, {Shin Ichi} and Kazuo Furukawa and Alex Revcolevschi",

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doi = "10.1039/F19817700361",

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T1 - Structural analysis of molten V2O5

AU - Morikawa, Hideki

AU - Miyake, Michihiro

AU - Iwai, Shin Ichi

AU - Furukawa, Kazuo

AU - Revcolevschi, Alex

PY - 1981/12/1

Y1 - 1981/12/1

N2 - The structure of molten V2O5 has been investigated using a radial distribution function based on X-ray scattered intensity data collected at 750°C; analysis was by the correlation method. The average V-O distance of 1.75 Å in the melt is shorter than that of 1.82 Å in the crystal and the coordination number of 3.9 in the melt is smaller than that of 5.0 in the crystal. The most probable model for molten V2O5 is similar to the crystal structure of P2O5 or SiO2. Each VO4 tetrahedron is surrounded by three VO4 tetrahedra and the V-V distance of 3.44 Å is almost equal to twice the V-O distance. The estimated density of the model assuming the cristoballite-like structure is 2.4 g cm-3, while the measured density is 2.15 g cm-3.

AB - The structure of molten V2O5 has been investigated using a radial distribution function based on X-ray scattered intensity data collected at 750°C; analysis was by the correlation method. The average V-O distance of 1.75 Å in the melt is shorter than that of 1.82 Å in the crystal and the coordination number of 3.9 in the melt is smaller than that of 5.0 in the crystal. The most probable model for molten V2O5 is similar to the crystal structure of P2O5 or SiO2. Each VO4 tetrahedron is surrounded by three VO4 tetrahedra and the V-V distance of 3.44 Å is almost equal to twice the V-O distance. The estimated density of the model assuming the cristoballite-like structure is 2.4 g cm-3, while the measured density is 2.15 g cm-3.

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Structural analysis of molten V₂O₅

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