A taxonomy of apatite frameworks for the crystal chemical design of fuel cell electrolytes

Stevin S. Pramana; Wim T. Klooster; Timothy J. White

doi:10.1016/j.jssc.2008.03.028

A taxonomy of apatite frameworks for the crystal chemical design of fuel cell electrolytes

Stevin S. Pramana, Wim T. Klooster, Timothy J. White^*

^*Corresponding author for this work

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

51 Citations (Scopus)

Abstract

Apatite framework taxonomy succinctly rationalises the crystallographic modifications of this structural family as a function of chemical composition. Taking the neutral apatite [La₈Sr₂][(GeO₄)₆]O₂ as a prototype electrolyte, this classification scheme correctly predicted that 'excess' oxygen in La₉SrGe₆O_26.5 is tenanted in the framework as [La₉Sr][(GeO₄)_5.5(GeO₅)_0.5]O₂, rather than the presumptive tunnel location of [La₉Sr][(GeO₄)₆]O_2.5. The implication of this approach is that in addition to the three known apatite genera-A₁₀(BO₃)₆X₂, A₁₀(BO₄)₆X₂, A₁₀(BO₅)₆X₂-hybrid electrolytes of the types A₁₀(BO₃/BO₄/BO₅)₆ X₂ can be designed, with potentially superior low-temperature ion conduction, mediated by the introduction of oxygen to the framework reservoir.

Original language	English
Pages (from-to)	1717-1722
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	181
Issue number	8
DOIs	https://doi.org/10.1016/j.jssc.2008.03.028
Publication status	Published - Aug 2008
Externally published	Yes

ASJC Scopus Subject Areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Keywords

Apatite
Crystal structure
Neutron diffraction
Taxonomy

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10.1016/j.jssc.2008.03.028

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title = "A taxonomy of apatite frameworks for the crystal chemical design of fuel cell electrolytes",

abstract = "Apatite framework taxonomy succinctly rationalises the crystallographic modifications of this structural family as a function of chemical composition. Taking the neutral apatite [La8Sr2][(GeO4)6]O 2 as a prototype electrolyte, this classification scheme correctly predicted that 'excess' oxygen in La9SrGe6O26.5 is tenanted in the framework as [La9Sr][(GeO4)5.5(GeO5) 0.5]O2, rather than the presumptive tunnel location of [La9Sr][(GeO4)6]O2.5. The implication of this approach is that in addition to the three known apatite genera-A10(BO3)6X2, A10(BO4)6X2, A10(BO5)6X2-hybrid electrolytes of the types A10(BO3/BO4/BO5)6 X2 can be designed, with potentially superior low-temperature ion conduction, mediated by the introduction of oxygen to the framework reservoir.",

keywords = "Apatite, Crystal structure, Neutron diffraction, Taxonomy",

author = "Pramana, {Stevin S.} and Klooster, {Wim T.} and White, {Timothy J.}",

year = "2008",

month = aug,

doi = "10.1016/j.jssc.2008.03.028",

language = "English",

volume = "181",

pages = "1717--1722",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

number = "8",

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AU - Pramana, Stevin S.

AU - Klooster, Wim T.

AU - White, Timothy J.

PY - 2008/8

Y1 - 2008/8

N2 - Apatite framework taxonomy succinctly rationalises the crystallographic modifications of this structural family as a function of chemical composition. Taking the neutral apatite [La8Sr2][(GeO4)6]O 2 as a prototype electrolyte, this classification scheme correctly predicted that 'excess' oxygen in La9SrGe6O26.5 is tenanted in the framework as [La9Sr][(GeO4)5.5(GeO5) 0.5]O2, rather than the presumptive tunnel location of [La9Sr][(GeO4)6]O2.5. The implication of this approach is that in addition to the three known apatite genera-A10(BO3)6X2, A10(BO4)6X2, A10(BO5)6X2-hybrid electrolytes of the types A10(BO3/BO4/BO5)6 X2 can be designed, with potentially superior low-temperature ion conduction, mediated by the introduction of oxygen to the framework reservoir.

AB - Apatite framework taxonomy succinctly rationalises the crystallographic modifications of this structural family as a function of chemical composition. Taking the neutral apatite [La8Sr2][(GeO4)6]O 2 as a prototype electrolyte, this classification scheme correctly predicted that 'excess' oxygen in La9SrGe6O26.5 is tenanted in the framework as [La9Sr][(GeO4)5.5(GeO5) 0.5]O2, rather than the presumptive tunnel location of [La9Sr][(GeO4)6]O2.5. The implication of this approach is that in addition to the three known apatite genera-A10(BO3)6X2, A10(BO4)6X2, A10(BO5)6X2-hybrid electrolytes of the types A10(BO3/BO4/BO5)6 X2 can be designed, with potentially superior low-temperature ion conduction, mediated by the introduction of oxygen to the framework reservoir.

KW - Apatite

KW - Crystal structure

KW - Neutron diffraction

KW - Taxonomy

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EP - 1722

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 8

ER -

A taxonomy of apatite frameworks for the crystal chemical design of fuel cell electrolytes

Abstract

ASJC Scopus Subject Areas

Keywords

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