The new disordered triplite polymorph of Co2[PO4]F

Hamdi Yahia, Masahiro Shikano, Hironori Kobayashi

Research output: Contribution to journalArticle

Abstract

The new polymorph of Co2[PO4]F has been synthesized by a hydrothermal route. Its crystal structure was determined from single-crystal X-ray diffraction data. Co2[PO4]F crystallizes with the triplite-type structure, space group C2/c, a = 12.856(2), b = 6.4369(10), c = 9.6742(16) Å, β = 117.40(1)°, V = 710.7(2) A®3 and Z = 8. The structure consists of a 3D-framework buildup of condensed PO4 tetrahedra, and cobalt(II) polyhedra which form chains running along the [101] and [010] directions. The coordination of the cobalt cations and the connectivity between the cobalt polyhedra are not well defined due to the disorder of the fluoride anions which form zigzag chains along [001]. The theoretical ordering of the fluoride anions led to two different structural models, very similar to the triplite Cc-CoFe[PO4]F and the triploidite P21/c-Co2[PO4]F, and in which the cobalt atoms are five and six coordinated.

Original languageEnglish
Pages (from-to)775-781
Number of pages7
JournalZeitschrift fur Kristallographie - Crystalline Materials
Volume229
Issue number12
DOIs
Publication statusPublished - 1 Dec 2014
Externally publishedYes

Fingerprint

Cobalt
Polymorphism
cobalt
polyhedrons
Fluorides
Anions
fluorides
Negative ions
anions
tetrahedrons
Cations
Crystal structure
Positive ions
routes
Single crystals
disorders
cations
X ray diffraction
Atoms
crystal structure

Keywords

  • Disorder
  • Polymorphism
  • Single crystal
  • Triplite-triploidite structural relationship

ASJC Scopus subject areas

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

Cite this

The new disordered triplite polymorph of Co2[PO4]F. / Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori.

In: Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 229, No. 12, 01.12.2014, p. 775-781.

Research output: Contribution to journalArticle

Yahia, Hamdi ; Shikano, Masahiro ; Kobayashi, Hironori. / The new disordered triplite polymorph of Co2[PO4]F. In: Zeitschrift fur Kristallographie - Crystalline Materials. 2014 ; Vol. 229, No. 12. pp. 775-781.
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