ALn1±xBi4±xS 8(A=K,Rb;Ln=La,Ce,Pr,Nd)

New Semiconducting Quaternary Bismuth Sulfides

Lykourgos Iordanidis, Jon L. Schindler, Carl R. Kannewurf, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

The isostructural compounds KLa1.28Bi3.72S8(I), RbLa1±xBi4±xS8(II), RbCe0.84Bi4.16S8(III), KCe1±xBi4±xS8(IV), KPr1±xB4±xS8(V) and KNd1±xBi4±xS8(VI) were synthesized. The structures of compounds (I) and (III) were determined by single crystal X-ray diffraction. They crystallize in the orthorhombicPnmaspace group (#62),a=16.6524(9) Å ,b=4.0712(2) Å,c=21.589(1) Å,R1=0.0397, wR2=0.0743 (all data) for (I) anda=16.7469(2) Å ,b=4.0528(1) Å,c=21.753(1) Å,R1=0.0345, wR2=0.0613 (all data) for (III). The structure type found in these compounds is made up of NaCl-type and Gd2S3-type fragments which connect to form tunnels filled with alkali metal ions. The structure has three types of metal positions, a six-coordinate type and two with higher coordination numbers, seven and eight. The NaCl-type fragment contains the six-coordinate positions which are exclusively occupied by Bi atoms, while the Gd2S3-type fragment contains the seven- and eight-coordinate positions which display mixed bismuth/lanthanide atom occupancy. The compounds are semiconductors with band gaps around 1.0 eV and they melt incongruently between 770 and 800°C. The electrical conductivities of the La analogs and magnetic properties of the Ce analogs are reported.

Original languageEnglish
Pages (from-to)151-162
Number of pages12
JournalJournal of Solid State Chemistry
Volume143
Issue number2
DOIs
Publication statusPublished - Mar 1999

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bismuth sulfides
Bismuth
fragments
Alkali Metals
Lanthanoid Series Elements
Atoms
Alkali metals
Rare earth elements
analogs
Metal ions
Magnetic properties
Tunnels
Energy gap
Metals
Single crystals
Semiconductor materials
coordination number
X ray diffraction
alkali metals
bismuth

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

ALn1±xBi4±xS 8(A=K,Rb;Ln=La,Ce,Pr,Nd) : New Semiconducting Quaternary Bismuth Sulfides. / Iordanidis, Lykourgos; Schindler, Jon L.; Kannewurf, Carl R.; Kanatzidis, Mercouri G.

In: Journal of Solid State Chemistry, Vol. 143, No. 2, 03.1999, p. 151-162.

Research output: Contribution to journalArticle

Iordanidis, Lykourgos ; Schindler, Jon L. ; Kannewurf, Carl R. ; Kanatzidis, Mercouri G. / ALn1±xBi4±xS 8(A=K,Rb;Ln=La,Ce,Pr,Nd) : New Semiconducting Quaternary Bismuth Sulfides. In: Journal of Solid State Chemistry. 1999 ; Vol. 143, No. 2. pp. 151-162.
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title = "ALn1±xBi4±xS 8(A=K,Rb;Ln=La,Ce,Pr,Nd): New Semiconducting Quaternary Bismuth Sulfides",
abstract = "The isostructural compounds KLa1.28Bi3.72S8(I), RbLa1±xBi4±xS8(II), RbCe0.84Bi4.16S8(III), KCe1±xBi4±xS8(IV), KPr1±xB4±xS8(V) and KNd1±xBi4±xS8(VI) were synthesized. The structures of compounds (I) and (III) were determined by single crystal X-ray diffraction. They crystallize in the orthorhombicPnmaspace group (#62),a=16.6524(9) {\AA} ,b=4.0712(2) {\AA},c=21.589(1) {\AA},R1=0.0397, wR2=0.0743 (all data) for (I) anda=16.7469(2) {\AA} ,b=4.0528(1) {\AA},c=21.753(1) {\AA},R1=0.0345, wR2=0.0613 (all data) for (III). The structure type found in these compounds is made up of NaCl-type and Gd2S3-type fragments which connect to form tunnels filled with alkali metal ions. The structure has three types of metal positions, a six-coordinate type and two with higher coordination numbers, seven and eight. The NaCl-type fragment contains the six-coordinate positions which are exclusively occupied by Bi atoms, while the Gd2S3-type fragment contains the seven- and eight-coordinate positions which display mixed bismuth/lanthanide atom occupancy. The compounds are semiconductors with band gaps around 1.0 eV and they melt incongruently between 770 and 800°C. The electrical conductivities of the La analogs and magnetic properties of the Ce analogs are reported.",
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N2 - The isostructural compounds KLa1.28Bi3.72S8(I), RbLa1±xBi4±xS8(II), RbCe0.84Bi4.16S8(III), KCe1±xBi4±xS8(IV), KPr1±xB4±xS8(V) and KNd1±xBi4±xS8(VI) were synthesized. The structures of compounds (I) and (III) were determined by single crystal X-ray diffraction. They crystallize in the orthorhombicPnmaspace group (#62),a=16.6524(9) Å ,b=4.0712(2) Å,c=21.589(1) Å,R1=0.0397, wR2=0.0743 (all data) for (I) anda=16.7469(2) Å ,b=4.0528(1) Å,c=21.753(1) Å,R1=0.0345, wR2=0.0613 (all data) for (III). The structure type found in these compounds is made up of NaCl-type and Gd2S3-type fragments which connect to form tunnels filled with alkali metal ions. The structure has three types of metal positions, a six-coordinate type and two with higher coordination numbers, seven and eight. The NaCl-type fragment contains the six-coordinate positions which are exclusively occupied by Bi atoms, while the Gd2S3-type fragment contains the seven- and eight-coordinate positions which display mixed bismuth/lanthanide atom occupancy. The compounds are semiconductors with band gaps around 1.0 eV and they melt incongruently between 770 and 800°C. The electrical conductivities of the La analogs and magnetic properties of the Ce analogs are reported.

AB - The isostructural compounds KLa1.28Bi3.72S8(I), RbLa1±xBi4±xS8(II), RbCe0.84Bi4.16S8(III), KCe1±xBi4±xS8(IV), KPr1±xB4±xS8(V) and KNd1±xBi4±xS8(VI) were synthesized. The structures of compounds (I) and (III) were determined by single crystal X-ray diffraction. They crystallize in the orthorhombicPnmaspace group (#62),a=16.6524(9) Å ,b=4.0712(2) Å,c=21.589(1) Å,R1=0.0397, wR2=0.0743 (all data) for (I) anda=16.7469(2) Å ,b=4.0528(1) Å,c=21.753(1) Å,R1=0.0345, wR2=0.0613 (all data) for (III). The structure type found in these compounds is made up of NaCl-type and Gd2S3-type fragments which connect to form tunnels filled with alkali metal ions. The structure has three types of metal positions, a six-coordinate type and two with higher coordination numbers, seven and eight. The NaCl-type fragment contains the six-coordinate positions which are exclusively occupied by Bi atoms, while the Gd2S3-type fragment contains the seven- and eight-coordinate positions which display mixed bismuth/lanthanide atom occupancy. The compounds are semiconductors with band gaps around 1.0 eV and they melt incongruently between 770 and 800°C. The electrical conductivities of the La analogs and magnetic properties of the Ce analogs are reported.

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