Synthesis, properties, and complex crystal structure of Th 2Se5

Brian J. Bellott, Christos D. Malliakas, Lukasz A. Koscielski, Mercouri G Kanatzidis, James A. Ibers

Research output: Contribution to journalArticle

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Abstract

The compound Th2Se5 has been synthesized and its structure determined by means of single-crystal X-ray diffraction methods. The subcell of Th2Se5 is in the tetragonal space group P4 2/nmc and is isostructural to Np2Se5. The modulated structure of Th2Se5 has been solved in the monoclinic super space group P2(α0γ)0. The structure features parallel infinite Se-Se chains with minimum and maximum Se-Se distances of 2.477(5) and 2.967(5) Å, respectively. Th2Se5 is a semiconductor with an electrical resistivity that shows thermally activated Arrhenius behavior with an activation energy of 0.40(1) eV. From spectroscopic measurements, the band gap of Th2Se5 is 0.37(2) eV. That the Th2Se5 structure is modulated whereas the Np 2Se5 structure appears not to be implies that the formal oxidation state of Np in Np2Se5 is 4+.

Original languageEnglish
Pages (from-to)944-949
Number of pages6
JournalInorganic Chemistry
Volume52
Issue number2
DOIs
Publication statusPublished - Jan 18 2013

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Energy gap
Activation energy
Crystal structure
Single crystals
Semiconductor materials
X ray diffraction
Oxidation
crystal structure
synthesis
activation energy
oxidation
electrical resistivity
single crystals
diffraction
x rays

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Bellott, B. J., Malliakas, C. D., Koscielski, L. A., Kanatzidis, M. G., & Ibers, J. A. (2013). Synthesis, properties, and complex crystal structure of Th 2Se5 Inorganic Chemistry, 52(2), 944-949. https://doi.org/10.1021/ic302154p

Synthesis, properties, and complex crystal structure of Th 2Se5 . / Bellott, Brian J.; Malliakas, Christos D.; Koscielski, Lukasz A.; Kanatzidis, Mercouri G; Ibers, James A.

In: Inorganic Chemistry, Vol. 52, No. 2, 18.01.2013, p. 944-949.

Research output: Contribution to journalArticle

Bellott, BJ, Malliakas, CD, Koscielski, LA, Kanatzidis, MG & Ibers, JA 2013, 'Synthesis, properties, and complex crystal structure of Th 2Se5 ', Inorganic Chemistry, vol. 52, no. 2, pp. 944-949. https://doi.org/10.1021/ic302154p
Bellott, Brian J. ; Malliakas, Christos D. ; Koscielski, Lukasz A. ; Kanatzidis, Mercouri G ; Ibers, James A. / Synthesis, properties, and complex crystal structure of Th 2Se5 In: Inorganic Chemistry. 2013 ; Vol. 52, No. 2. pp. 944-949.
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N2 - The compound Th2Se5 has been synthesized and its structure determined by means of single-crystal X-ray diffraction methods. The subcell of Th2Se5 is in the tetragonal space group P4 2/nmc and is isostructural to Np2Se5. The modulated structure of Th2Se5 has been solved in the monoclinic super space group P2(α0γ)0. The structure features parallel infinite Se-Se chains with minimum and maximum Se-Se distances of 2.477(5) and 2.967(5) Å, respectively. Th2Se5 is a semiconductor with an electrical resistivity that shows thermally activated Arrhenius behavior with an activation energy of 0.40(1) eV. From spectroscopic measurements, the band gap of Th2Se5 is 0.37(2) eV. That the Th2Se5 structure is modulated whereas the Np 2Se5 structure appears not to be implies that the formal oxidation state of Np in Np2Se5 is 4+.

AB - The compound Th2Se5 has been synthesized and its structure determined by means of single-crystal X-ray diffraction methods. The subcell of Th2Se5 is in the tetragonal space group P4 2/nmc and is isostructural to Np2Se5. The modulated structure of Th2Se5 has been solved in the monoclinic super space group P2(α0γ)0. The structure features parallel infinite Se-Se chains with minimum and maximum Se-Se distances of 2.477(5) and 2.967(5) Å, respectively. Th2Se5 is a semiconductor with an electrical resistivity that shows thermally activated Arrhenius behavior with an activation energy of 0.40(1) eV. From spectroscopic measurements, the band gap of Th2Se5 is 0.37(2) eV. That the Th2Se5 structure is modulated whereas the Np 2Se5 structure appears not to be implies that the formal oxidation state of Np in Np2Se5 is 4+.

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