Noncentrosymmetry in mixed metal oxide-fluorides

Can we control it?

Rachelle Ann F Pinlac, Michael R. Marvel, Julien J M Lesage, Kenneth R Poeppelmeier

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The rational design of crystal structures, in particular noncentrosymmetric materials, and how to differentiate polar, polar-chiral, and chiral structures, is an ongoing theme in crystal engineering. In KNaNbOF5, the combination of a second-order Jahn Teller active d0 transition metal oxyfluoride anionic unit and mixed K/Na cation coordination environments are shown to result in a polar structure (space group Pna21). The crystal structure analysis of the Na/K-O/F interactions reveals that the potassium cations form one of the two contacts to the under-bonded oxide ions. These interactions satisfy the expected bond valence sums and Pauling's second crystal rule (PSCR), leading to O/F ordering and acentric packing of the [NbOF 5]2- anionic unit.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Pages18-29
Number of pages12
Volume1148
Publication statusPublished - 2008
Event2008 MRS Fall Meeting - Boston, MA, United States
Duration: Dec 1 2008Dec 5 2008

Other

Other2008 MRS Fall Meeting
CountryUnited States
CityBoston, MA
Period12/1/0812/5/08

Fingerprint

mixed oxides
Fluorides
Oxides
metal oxides
fluorides
Cations
Crystal structure
Positive ions
Metals
Crystal engineering
cations
oxyfluorides
crystal structure
crystals
Transition metals
Potassium
potassium
transition metals
interactions
engineering

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

Cite this

Pinlac, R. A. F., Marvel, M. R., Lesage, J. J. M., & Poeppelmeier, K. R. (2008). Noncentrosymmetry in mixed metal oxide-fluorides: Can we control it? In Materials Research Society Symposium Proceedings (Vol. 1148, pp. 18-29)

Noncentrosymmetry in mixed metal oxide-fluorides : Can we control it? / Pinlac, Rachelle Ann F; Marvel, Michael R.; Lesage, Julien J M; Poeppelmeier, Kenneth R.

Materials Research Society Symposium Proceedings. Vol. 1148 2008. p. 18-29.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Pinlac, RAF, Marvel, MR, Lesage, JJM & Poeppelmeier, KR 2008, Noncentrosymmetry in mixed metal oxide-fluorides: Can we control it? in Materials Research Society Symposium Proceedings. vol. 1148, pp. 18-29, 2008 MRS Fall Meeting, Boston, MA, United States, 12/1/08.
Pinlac RAF, Marvel MR, Lesage JJM, Poeppelmeier KR. Noncentrosymmetry in mixed metal oxide-fluorides: Can we control it? In Materials Research Society Symposium Proceedings. Vol. 1148. 2008. p. 18-29
Pinlac, Rachelle Ann F ; Marvel, Michael R. ; Lesage, Julien J M ; Poeppelmeier, Kenneth R. / Noncentrosymmetry in mixed metal oxide-fluorides : Can we control it?. Materials Research Society Symposium Proceedings. Vol. 1148 2008. pp. 18-29
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