Synthesis and Characterization of the Ternary Thiobismuthates A9Bi13S24 (A = K, Rb)

Bambar Davaasuren; Fatimah S. Alahmary; Enkhtsetseg Dashjav; Jayaprakash Khanderi; Alexander Rothenberger

doi:10.1002/zaac.201600159

Synthesis and Characterization of the Ternary Thiobismuthates A9Bi13S24 (A = K, Rb)

Bambar Davaasuren, Fatimah S. Alahmary, Enkhtsetseg Dashjav, Jayaprakash Khanderi, Alexander Rothenberger

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

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Abstract

Ternary alkali metal thiobismuthates ABiS (A = K, Rb) were synthesized by direct combination reactions at 650 °C. The compounds crystallize in the monoclinic space group C2/m (no. 12) with cell parameters a = 30.919(1) Å, b = 4.1008(2) Å, c = 20.9072(9) Å, β = 105.826(3)° for KBiS (1) and a = 31.823(6) Å, b = 4.1177(8) Å, c = 21.086(4) Å, β = 105.62(3)° for RbBiS (2). The crystal structure of 1 contains a 3D [KBiS] polyanionic framework, whereas 2 consists of 2D [RbBiS] polyanionic slabs stacked along [201]. Both 1 and 2 are semiconductors with a band gap of 1.4 and 1.3 eV, respectively, which is supported by an electronic structure calculation. 1 melts congruently at 580 °C, while 2 melts incongruently at 575 °C. 1 and 2 are airstable and insoluble in water and organic solvents.

Original language	English (US)
Pages (from-to)	1480-1485
Number of pages	6
Journal	Zeitschrift für anorganische und allgemeine Chemie
Volume	642
Issue number	24
DOIs	https://doi.org/10.1002/zaac.201600159
State	Published - Nov 11 2016

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CSD 1791114: Experimental Crystal Structure Determination
Davaasuren, B. (Creator), Alahmary, F. S. (Creator), Dashjav, E. (Creator), Khanderi, J. (Creator), Rothenberger, A. (Creator) & Dashjav, E. (Creator), FIZ Karlsruhe - Leibniz Institute for Information Infrastructure, Feb 23 2018
DOI: 10.25505/fiz.icsd.cc1y3swq, http://hdl.handle.net/10754/663686
Dataset
CSD 1791114: Experimental Crystal Structure Determination
Davaasuren, B. (Creator), Alahmary, F. S. (Creator), Dashjav, E. (Creator), Khanderi, J. (Creator), Rothenberger, A. (Creator) & Dashjav, E. (Creator), FIZ Karlsruhe - Leibniz Institute for Information Infrastructure, Feb 23 2018
DOI: 10.25505/fiz.icsd.cc1y3swq, http://hdl.handle.net/10754/663687
Dataset
CSD 1789861: Experimental Crystal Structure Determination
Davaasuren, B. (Creator), Alahmary, F. S. (Creator), Dashjav, E. (Creator), Khanderi, J. (Creator), Rothenberger, A. (Creator) & Dashjav, E. (Creator), FIZ Karlsruhe - Leibniz Institute for Information Infrastructure, Feb 23 2018
DOI: 10.25505/fiz.icsd.cc1y2hgz, http://hdl.handle.net/10754/663690
Dataset

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@article{f03911dab12a4ba691c347dc8e20a34c,

title = "Synthesis and Characterization of the Ternary Thiobismuthates A9Bi13S24 (A = K, Rb)",

abstract = "Ternary alkali metal thiobismuthates ABiS (A = K, Rb) were synthesized by direct combination reactions at 650 °C. The compounds crystallize in the monoclinic space group C2/m (no. 12) with cell parameters a = 30.919(1) {\AA}, b = 4.1008(2) {\AA}, c = 20.9072(9) {\AA}, β = 105.826(3)° for KBiS (1) and a = 31.823(6) {\AA}, b = 4.1177(8) {\AA}, c = 21.086(4) {\AA}, β = 105.62(3)° for RbBiS (2). The crystal structure of 1 contains a 3D [KBiS] polyanionic framework, whereas 2 consists of 2D [RbBiS] polyanionic slabs stacked along [201]. Both 1 and 2 are semiconductors with a band gap of 1.4 and 1.3 eV, respectively, which is supported by an electronic structure calculation. 1 melts congruently at 580 °C, while 2 melts incongruently at 575 °C. 1 and 2 are airstable and insoluble in water and organic solvents.",

author = "Bambar Davaasuren and Alahmary, {Fatimah S.} and Enkhtsetseg Dashjav and Jayaprakash Khanderi and Alexander Rothenberger",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): BAS/1/1302–01–01 Acknowledgements: This research was supported by King Abdullah University of Science and Technology (KAUST) baseline fund BAS/1/1302–01–01.",

year = "2016",

month = nov,

day = "11",

doi = "10.1002/zaac.201600159",

language = "English (US)",

volume = "642",

pages = "1480--1485",

journal = "Zeitschrift f{\"u}r anorganische und allgemeine Chemie",

issn = "0044-2313",

publisher = "Wiley-VCH Verlag",

number = "24",

}

TY - JOUR

T1 - Synthesis and Characterization of the Ternary Thiobismuthates A9Bi13S24 (A = K, Rb)

AU - Davaasuren, Bambar

AU - Alahmary, Fatimah S.

AU - Dashjav, Enkhtsetseg

AU - Khanderi, Jayaprakash

AU - Rothenberger, Alexander

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): BAS/1/1302–01–01 Acknowledgements: This research was supported by King Abdullah University of Science and Technology (KAUST) baseline fund BAS/1/1302–01–01.

PY - 2016/11/11

Y1 - 2016/11/11

N2 - Ternary alkali metal thiobismuthates ABiS (A = K, Rb) were synthesized by direct combination reactions at 650 °C. The compounds crystallize in the monoclinic space group C2/m (no. 12) with cell parameters a = 30.919(1) Å, b = 4.1008(2) Å, c = 20.9072(9) Å, β = 105.826(3)° for KBiS (1) and a = 31.823(6) Å, b = 4.1177(8) Å, c = 21.086(4) Å, β = 105.62(3)° for RbBiS (2). The crystal structure of 1 contains a 3D [KBiS] polyanionic framework, whereas 2 consists of 2D [RbBiS] polyanionic slabs stacked along [201]. Both 1 and 2 are semiconductors with a band gap of 1.4 and 1.3 eV, respectively, which is supported by an electronic structure calculation. 1 melts congruently at 580 °C, while 2 melts incongruently at 575 °C. 1 and 2 are airstable and insoluble in water and organic solvents.

AB - Ternary alkali metal thiobismuthates ABiS (A = K, Rb) were synthesized by direct combination reactions at 650 °C. The compounds crystallize in the monoclinic space group C2/m (no. 12) with cell parameters a = 30.919(1) Å, b = 4.1008(2) Å, c = 20.9072(9) Å, β = 105.826(3)° for KBiS (1) and a = 31.823(6) Å, b = 4.1177(8) Å, c = 21.086(4) Å, β = 105.62(3)° for RbBiS (2). The crystal structure of 1 contains a 3D [KBiS] polyanionic framework, whereas 2 consists of 2D [RbBiS] polyanionic slabs stacked along [201]. Both 1 and 2 are semiconductors with a band gap of 1.4 and 1.3 eV, respectively, which is supported by an electronic structure calculation. 1 melts congruently at 580 °C, while 2 melts incongruently at 575 °C. 1 and 2 are airstable and insoluble in water and organic solvents.

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M3 - Article

VL - 642

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JO - Zeitschrift für anorganische und allgemeine Chemie

JF - Zeitschrift für anorganische und allgemeine Chemie

SN - 0044-2313

IS - 24

ER -

Synthesis and Characterization of the Ternary Thiobismuthates A9Bi13S24 (A = K, Rb)

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CSD 1791114: Experimental Crystal Structure Determination

CSD 1791114: Experimental Crystal Structure Determination

CSD 1789861: Experimental Crystal Structure Determination

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