Details

Autor(en) / Beteiligte

• Azarapin, Nikita O.
• Aleksandrovsky, Aleksandr S.
• Atuchin, Victor V.
• Gavrilova, Tatyana A.
• Krylov, Aleksandr S.
• Molokeev, Maxim S.
• Mukherjee, Shaibal
• Oreshonkov, Aleksandr S.
• Andreev, Oleg V.

Titel

Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm)

Ist Teil von

• Journal of alloys and compounds, 2020-08, Vol.832, p.153134, Article 153134

Ort / Verlag

Lausanne: Elsevier B.V

Erscheinungsjahr

2020

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS2, H2S) at 1170 K. The crystal structures of BaPrCuS3 and BaSmCuS3 are obtained by Rietveld method. BaPrCuS3 crystallizes in space group Pnma with unit cell parameters a = 10.56074(6), b = 4.11305(2) and c = 13.42845(7) Å, V = 583.289 (5) Å3, Z = 2 (structure type Eu2CuS3). BaSmCuS3 crystallizes in space group Cmcm with unit cell parameters a = 4.07269(4), b = 13.4499(1) and c = 10.3704(1) Å, V = 568.06 (1) Å3, Z = 2 (structure type KZrCuS3). The structural model is proposed for the Cmcm→Pnma transition in ABCX3 (X = S, Se) compounds for the sequence Sm-Pm-Nd-Pr. The dimensionless tolerance factor t = IR(A) × IR(C)/IR(B)2 is suggested to control the boundary between the Cmcm and Pnma structures. The micromorphological, thermal and spectroscopic properties are evaluated for BaPrCuS3. The compound melts incongruently at Tmelt = 1580.9 K. In BaPrCuS3, the band gap is estimated to be 2.1 eV. The vibrational parameters of BaPrCuS3 and BaSmCuS3 are comparatively observed by Raman spectroscopy. •Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction.•The BaPrCuS3 and BaSmCuS3 compounds crystallized in space groups Pnma and Cmcm, respectively.•The vibrational parameters of BaPrCuS3 and BaSmCuS3 are comparatively observed by Raman spectroscopy.