Nioboaeschynite-(Ce), Ce(NbTi)O6

Shaunna M. Morrison; Robert T. Downs; Kenneth J. Domanik; Hexiong Yang; Donald Doell

doi:10.1107/S1600536812031765

Nioboaeschynite-(Ce), Ce(NbTi)O₆

Shaunna M. Morrison, Robert T. Downs, Kenneth J. Domanik, Hexiong Yang, Donald Doell

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

1 Scopus citations

Abstract

Nioboaeschynite-(Ce), ideally Ce(NbTi)O₆ [cerium(III) niobium(V) titanium(IV) hexa-oxide; refined formula of the natural sample is Ca _0.25Ce_0.79(Nb_1.14Ti_0.86)O ₆], belongs to the aeschynite mineral group which is characterized by the general formula AB₂(O,OH)₆, where eight-coordinated A is a rare earth element, Ca, Th or Fe, and six-coordinated B is Ti, Nb, Ta or W. The general structural feature of nioboaeschynite-(Ce) resembles that of the other members of the aeschynite group. It is characterized by edge-sharing dimers of [(Nb,Ti)O₆] octa-hedra which share corners to form a three-dimensional framework, with the A sites located in channels parallel to the b axis. The average A-O and B-O bond lengths in nioboaeschynite-(Ce) are 2.471 and 1.993 Å, respectively. Moreover, another eight-coordinated site, designated as the C site, is also located in the channels and is partially occupied by A-type cations. Additionally, the refinement revealed a splitting of the A site, with Ca displaced slightly from Ce (0.266 Å apart), presumably resulting from the crystal-chemical differences between the Ce ³⁺ and Ca²⁺ cations.

Original language	English (US)
Pages (from-to)	i64-i65
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	8
DOIs	https://doi.org/10.1107/S1600536812031765
State	Published - Aug 2012
Externally published	Yes

Keywords

R factor = 0.023
T = 293 K
data-to-parameter ratio = 16.1
disorder in main residue
mean σ(Nb-O) = 0.002Å
single-crystal X-ray study
wR factor = 0.055

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

Access to Document

10.1107/S1600536812031765

Cite this

@article{e42f77b51719490080a1900cce0b61bf,

title = "Nioboaeschynite-(Ce), Ce(NbTi)O6",

abstract = "Nioboaeschynite-(Ce), ideally Ce(NbTi)O6 [cerium(III) niobium(V) titanium(IV) hexa-oxide; refined formula of the natural sample is Ca 0.25Ce0.79(Nb1.14Ti0.86)O 6], belongs to the aeschynite mineral group which is characterized by the general formula AB2(O,OH)6, where eight-coordinated A is a rare earth element, Ca, Th or Fe, and six-coordinated B is Ti, Nb, Ta or W. The general structural feature of nioboaeschynite-(Ce) resembles that of the other members of the aeschynite group. It is characterized by edge-sharing dimers of [(Nb,Ti)O6] octa-hedra which share corners to form a three-dimensional framework, with the A sites located in channels parallel to the b axis. The average A-O and B-O bond lengths in nioboaeschynite-(Ce) are 2.471 and 1.993 {\AA}, respectively. Moreover, another eight-coordinated site, designated as the C site, is also located in the channels and is partially occupied by A-type cations. Additionally, the refinement revealed a splitting of the A site, with Ca displaced slightly from Ce (0.266 {\AA} apart), presumably resulting from the crystal-chemical differences between the Ce 3+ and Ca2+ cations.",

keywords = "R factor = 0.023, T = 293 K, data-to-parameter ratio = 16.1, disorder in main residue, mean σ(Nb-O) = 0.002{\AA}, single-crystal X-ray study, wR factor = 0.055",

author = "Morrison, {Shaunna M.} and Downs, {Robert T.} and Domanik, {Kenneth J.} and Hexiong Yang and Donald Doell",

year = "2012",

month = aug,

doi = "10.1107/S1600536812031765",

language = "English (US)",

volume = "68",

pages = "i64--i65",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "8",

}

TY - JOUR

T1 - Nioboaeschynite-(Ce), Ce(NbTi)O6

AU - Morrison, Shaunna M.

AU - Downs, Robert T.

AU - Domanik, Kenneth J.

AU - Yang, Hexiong

AU - Doell, Donald

PY - 2012/8

Y1 - 2012/8

N2 - Nioboaeschynite-(Ce), ideally Ce(NbTi)O6 [cerium(III) niobium(V) titanium(IV) hexa-oxide; refined formula of the natural sample is Ca 0.25Ce0.79(Nb1.14Ti0.86)O 6], belongs to the aeschynite mineral group which is characterized by the general formula AB2(O,OH)6, where eight-coordinated A is a rare earth element, Ca, Th or Fe, and six-coordinated B is Ti, Nb, Ta or W. The general structural feature of nioboaeschynite-(Ce) resembles that of the other members of the aeschynite group. It is characterized by edge-sharing dimers of [(Nb,Ti)O6] octa-hedra which share corners to form a three-dimensional framework, with the A sites located in channels parallel to the b axis. The average A-O and B-O bond lengths in nioboaeschynite-(Ce) are 2.471 and 1.993 Å, respectively. Moreover, another eight-coordinated site, designated as the C site, is also located in the channels and is partially occupied by A-type cations. Additionally, the refinement revealed a splitting of the A site, with Ca displaced slightly from Ce (0.266 Å apart), presumably resulting from the crystal-chemical differences between the Ce 3+ and Ca2+ cations.

AB - Nioboaeschynite-(Ce), ideally Ce(NbTi)O6 [cerium(III) niobium(V) titanium(IV) hexa-oxide; refined formula of the natural sample is Ca 0.25Ce0.79(Nb1.14Ti0.86)O 6], belongs to the aeschynite mineral group which is characterized by the general formula AB2(O,OH)6, where eight-coordinated A is a rare earth element, Ca, Th or Fe, and six-coordinated B is Ti, Nb, Ta or W. The general structural feature of nioboaeschynite-(Ce) resembles that of the other members of the aeschynite group. It is characterized by edge-sharing dimers of [(Nb,Ti)O6] octa-hedra which share corners to form a three-dimensional framework, with the A sites located in channels parallel to the b axis. The average A-O and B-O bond lengths in nioboaeschynite-(Ce) are 2.471 and 1.993 Å, respectively. Moreover, another eight-coordinated site, designated as the C site, is also located in the channels and is partially occupied by A-type cations. Additionally, the refinement revealed a splitting of the A site, with Ca displaced slightly from Ce (0.266 Å apart), presumably resulting from the crystal-chemical differences between the Ce 3+ and Ca2+ cations.

KW - R factor = 0.023

KW - T = 293 K

KW - data-to-parameter ratio = 16.1

KW - disorder in main residue

KW - mean σ(Nb-O) = 0.002Å

KW - single-crystal X-ray study

KW - wR factor = 0.055

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JO - Acta Crystallographica Section E: Structure Reports Online

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