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

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

doi:10.1021/ic302154p

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

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

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 language	English (US)
Pages (from-to)	944-949
Number of pages	6
Journal	Inorganic chemistry
Volume	52
Issue number	2
DOIs	https://doi.org/10.1021/ic302154p
State	Published - Jan 18 2013

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry

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@article{f695ff8a6e14490eabdc25e2e90704b9,

title = "Synthesis, properties, and complex crystal structure of Th 2Se5",

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) {\AA}, 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+.",

author = "Bellott, {Brian J.} and Malliakas, {Christos D.} and Koscielski, {Lukasz A.} and Kanatzidis, {Mercouri G.} and Ibers, {James A.}",

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TY - JOUR

T1 - Synthesis, properties, and complex crystal structure of Th 2Se5

AU - Bellott, Brian J.

AU - Malliakas, Christos D.

AU - Koscielski, Lukasz A.

AU - Kanatzidis, Mercouri G.

AU - Ibers, James A.

PY - 2013/1/18

Y1 - 2013/1/18

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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JO - Inorganic chemistry

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

Abstract

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