Structural units of binary vanadate glasses by X-ray and neutron diffraction

U. Hoppe; A. Ghosh; S. Feller; A. C. Hannon; D. A. Keen; J. Neuefeind

doi:10.1016/j.jnoncrysol.2021.121120

Structural units of binary vanadate glasses by X-ray and neutron diffraction

U. Hoppe, A. Ghosh, S. Feller, A. C. Hannon, D. A. Keen, J. Neuefeind

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

14 Scopus citations

Abstract

X-ray diffraction with high-energy photons (synchrotron) and neutron diffraction are performed on binary vanadate glasses with MgO, Na₂O, K₂O to determine their structural units. The interpretation includes results of further binary vanadate glasses where vitreous V₂O₅ plays a key role. Different to the V₂O₅ crystal the structural model of the glass widely excludes three-fold coordinated oxygen according to Zachariasen's rules of glass formation. Results from the literature of an extensive analysis of vanadate crystals are used. VO₆ units exist in definite deformations. The corresponding out-of-center displacements of the V⁵⁺ ions are attributed to the second-order Jahn-Teller effects. The corresponding mechanisms are suggested to be effective also in glass structures. Two, three or four different V-O distances of this model are taken into account and allow a consistent modelling of the distributions of the bond lengths.

Original language	English
Article number	121120
Journal	Journal of Non-Crystalline Solids
Volume	572
DOIs	https://doi.org/10.1016/j.jnoncrysol.2021.121120
State	Published - Nov 15 2021
Externally published	Yes

Funding

The National Science Foundation of the United States is thanked under grant number NSF-DMR 1746230 . The Science and Engineering Research Board of India is also thanked for the J C Bose National Fellowship grant number SB/S2/JCB-33/2014 .

Funders	Funder number
National Science Foundation	SB/S2/JCB-33/2014, NSF-DMR 1746230

Keywords

Glass structure
Neutron diffraction
Second-order Jahn-Teller effects
Vanadate glasses
X-ray diffraction

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10.1016/j.jnoncrysol.2021.121120

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title = "Structural units of binary vanadate glasses by X-ray and neutron diffraction",

abstract = "X-ray diffraction with high-energy photons (synchrotron) and neutron diffraction are performed on binary vanadate glasses with MgO, Na2O, K2O to determine their structural units. The interpretation includes results of further binary vanadate glasses where vitreous V2O5 plays a key role. Different to the V2O5 crystal the structural model of the glass widely excludes three-fold coordinated oxygen according to Zachariasen's rules of glass formation. Results from the literature of an extensive analysis of vanadate crystals are used. VO6 units exist in definite deformations. The corresponding out-of-center displacements of the V5+ ions are attributed to the second-order Jahn-Teller effects. The corresponding mechanisms are suggested to be effective also in glass structures. Two, three or four different V-O distances of this model are taken into account and allow a consistent modelling of the distributions of the bond lengths.",

keywords = "Glass structure, Neutron diffraction, Second-order Jahn-Teller effects, Vanadate glasses, X-ray diffraction",

author = "U. Hoppe and A. Ghosh and S. Feller and Hannon, {A. C.} and Keen, {D. A.} and J. Neuefeind",

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doi = "10.1016/j.jnoncrysol.2021.121120",

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T1 - Structural units of binary vanadate glasses by X-ray and neutron diffraction

AU - Hoppe, U.

AU - Ghosh, A.

AU - Feller, S.

AU - Hannon, A. C.

AU - Keen, D. A.

AU - Neuefeind, J.

PY - 2021/11/15

Y1 - 2021/11/15

N2 - X-ray diffraction with high-energy photons (synchrotron) and neutron diffraction are performed on binary vanadate glasses with MgO, Na2O, K2O to determine their structural units. The interpretation includes results of further binary vanadate glasses where vitreous V2O5 plays a key role. Different to the V2O5 crystal the structural model of the glass widely excludes three-fold coordinated oxygen according to Zachariasen's rules of glass formation. Results from the literature of an extensive analysis of vanadate crystals are used. VO6 units exist in definite deformations. The corresponding out-of-center displacements of the V5+ ions are attributed to the second-order Jahn-Teller effects. The corresponding mechanisms are suggested to be effective also in glass structures. Two, three or four different V-O distances of this model are taken into account and allow a consistent modelling of the distributions of the bond lengths.

AB - X-ray diffraction with high-energy photons (synchrotron) and neutron diffraction are performed on binary vanadate glasses with MgO, Na2O, K2O to determine their structural units. The interpretation includes results of further binary vanadate glasses where vitreous V2O5 plays a key role. Different to the V2O5 crystal the structural model of the glass widely excludes three-fold coordinated oxygen according to Zachariasen's rules of glass formation. Results from the literature of an extensive analysis of vanadate crystals are used. VO6 units exist in definite deformations. The corresponding out-of-center displacements of the V5+ ions are attributed to the second-order Jahn-Teller effects. The corresponding mechanisms are suggested to be effective also in glass structures. Two, three or four different V-O distances of this model are taken into account and allow a consistent modelling of the distributions of the bond lengths.

KW - Glass structure

KW - Neutron diffraction

KW - Second-order Jahn-Teller effects

KW - Vanadate glasses

KW - X-ray diffraction

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U2 - 10.1016/j.jnoncrysol.2021.121120

DO - 10.1016/j.jnoncrysol.2021.121120

M3 - Article

AN - SCOPUS:85113144715

SN - 0022-3093

VL - 572

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

M1 - 121120

ER -

Structural units of binary vanadate glasses by X-ray and neutron diffraction

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Keywords

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