Fluoride bridging modes in fluorozirconate glasses by x-ray and computer simulation studies

Jacques Lucas; C. Austen Angell; Sina Tamaddon

doi:10.1016/0025-5408(84)90057-6

Fluoride bridging modes in fluorozirconate glasses by x-ray and computer simulation studies

Jacques Lucas
, C. Austen Angell
, Sina Tamaddon

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

37 Scopus citations

Abstract

A second characteristic ZrZr distance due to edge-sharing (ZrF_n) polyhedra which is observed in crystalline α-ZrF₄ (high temperature form) and is also suggested by recent X-ray studies of BaF₂ZrF₄ glasses, has been observed in ion dynamics computer simulation studies. Experimental X-ray and computer simulation results both imply that about one out of each four bridges between Zr pairs involve two fluoride ions, and that this proportion is almost independent of composition in the binary system.

Original language	English (US)
Pages (from-to)	945-951
Number of pages	7
Journal	Materials Research Bulletin
Volume	19
Issue number	7
DOIs	https://doi.org/10.1016/0025-5408(84)90057-6
State	Published - Jul 1984
Externally published	Yes

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1016/0025-5408(84)90057-6

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title = "Fluoride bridging modes in fluorozirconate glasses by x-ray and computer simulation studies",

abstract = "A second characteristic ZrZr distance due to edge-sharing (ZrFn) polyhedra which is observed in crystalline α-ZrF4 (high temperature form) and is also suggested by recent X-ray studies of BaF2ZrF4 glasses, has been observed in ion dynamics computer simulation studies. Experimental X-ray and computer simulation results both imply that about one out of each four bridges between Zr pairs involve two fluoride ions, and that this proportion is almost independent of composition in the binary system.",

author = "Jacques Lucas and Angell, \{C. Austen\} and Sina Tamaddon",

note = "Funding Information: This work was supported by grants from the Centre Nationale de Recherche Scientiflque, Laboratoire associ\textasciitilde{} au CNRS No. 254, France, and the National Science Foundation (Solid State Chemistry Grant No. DMR 8007053), U.S.A.",

year = "1984",

month = jul,

doi = "10.1016/0025-5408(84)90057-6",

language = "English (US)",

volume = "19",

pages = "945--951",

journal = "Materials Research Bulletin",

issn = "0025-5408",

publisher = "Elsevier Ltd",

number = "7",

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TY - JOUR

T1 - Fluoride bridging modes in fluorozirconate glasses by x-ray and computer simulation studies

AU - Lucas, Jacques

AU - Angell, C. Austen

AU - Tamaddon, Sina

N1 - Funding Information: This work was supported by grants from the Centre Nationale de Recherche Scientiflque, Laboratoire associ~ au CNRS No. 254, France, and the National Science Foundation (Solid State Chemistry Grant No. DMR 8007053), U.S.A.

PY - 1984/7

Y1 - 1984/7

N2 - A second characteristic ZrZr distance due to edge-sharing (ZrFn) polyhedra which is observed in crystalline α-ZrF4 (high temperature form) and is also suggested by recent X-ray studies of BaF2ZrF4 glasses, has been observed in ion dynamics computer simulation studies. Experimental X-ray and computer simulation results both imply that about one out of each four bridges between Zr pairs involve two fluoride ions, and that this proportion is almost independent of composition in the binary system.

AB - A second characteristic ZrZr distance due to edge-sharing (ZrFn) polyhedra which is observed in crystalline α-ZrF4 (high temperature form) and is also suggested by recent X-ray studies of BaF2ZrF4 glasses, has been observed in ion dynamics computer simulation studies. Experimental X-ray and computer simulation results both imply that about one out of each four bridges between Zr pairs involve two fluoride ions, and that this proportion is almost independent of composition in the binary system.

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DO - 10.1016/0025-5408(84)90057-6

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AN - SCOPUS:0021463907

SN - 0025-5408

VL - 19

SP - 945

EP - 951

JO - Materials Research Bulletin

JF - Materials Research Bulletin

IS - 7

ER -

Fluoride bridging modes in fluorozirconate glasses by x-ray and computer simulation studies

Abstract

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