New ternary and quaternary barium nitride halides; Synthesis and crystal chemistry

Andrew S. Bailey, Robert W. Hughes, Peter Hubberstey, Clemens Ritter, Ronald I. Smith, Duncan H. Gregory

Research output: Contribution to journalArticle

Abstract

New ternary and quaternary nitride halides, Ba2N(X,X′) (X = F, Cl, Br; X′ = Br, I), have been synthesized from the high temperature reactions of barium subnitride with the respective barium halides under an inert atmosphere. The former include the first fully characterized barium nitride halides for X other than F, and the latter are the first examples of barium nitride mixed halides. The variation in structure with composition has been investigated by powder X-ray and powder neutron diffraction techniques. The heavier ternary and quaternary nitride halides (X, X′ = Cl, Br, I) crystallize in the hexagonal space group R3̄m, with the anti-α-NaFeO2 structure. Ba2NF forms with both an anti-α-NaFeO2 structure, in which N3- and F - are ordered and an anion-disordered simple rock salt structure. The hexagonal polymorph of Ba2NF is the only example to date of a nitride fluoride adopting this layered structure. Both the ternary and the quaternary compounds display very weak, temperature independent paramagnetism.

Original languageEnglish
Pages (from-to)9545-9553
Number of pages9
JournalInorganic chemistry
Volume50
Issue number19
DOIs
Publication statusPublished - Oct 3 2011
Externally publishedYes

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synthesis (chemistry)
Crystal chemistry
Barium
Nitrides
halides
barium
nitrides
chemistry
crystals
Paramagnetism
Neutron powder diffraction
inert atmosphere
halites
paramagnetism
Polymorphism
Fluorides
Powders
Anions
neutron diffraction
fluorides

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Bailey, A. S., Hughes, R. W., Hubberstey, P., Ritter, C., Smith, R. I., & Gregory, D. H. (2011). New ternary and quaternary barium nitride halides; Synthesis and crystal chemistry. Inorganic chemistry, 50(19), 9545-9553. https://doi.org/10.1021/ic201264u

New ternary and quaternary barium nitride halides; Synthesis and crystal chemistry. / Bailey, Andrew S.; Hughes, Robert W.; Hubberstey, Peter; Ritter, Clemens; Smith, Ronald I.; Gregory, Duncan H.

In: Inorganic chemistry, Vol. 50, No. 19, 03.10.2011, p. 9545-9553.

Research output: Contribution to journalArticle

Bailey, AS, Hughes, RW, Hubberstey, P, Ritter, C, Smith, RI & Gregory, DH 2011, 'New ternary and quaternary barium nitride halides; Synthesis and crystal chemistry', Inorganic chemistry, vol. 50, no. 19, pp. 9545-9553. https://doi.org/10.1021/ic201264u
Bailey, Andrew S. ; Hughes, Robert W. ; Hubberstey, Peter ; Ritter, Clemens ; Smith, Ronald I. ; Gregory, Duncan H. / New ternary and quaternary barium nitride halides; Synthesis and crystal chemistry. In: Inorganic chemistry. 2011 ; Vol. 50, No. 19. pp. 9545-9553.
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