Nioboaeschynite-(Ce), Ce(NbTi)O6

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

Research output: Contribution to journalArticlepeer-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 0.25Ce0.79(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.

Original languageEnglish (US)
Pages (from-to)i64-i65
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number8
DOIs
StatePublished - Aug 2012

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

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