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Syntheses and crystal structures of RE3MnSn5−x (RE=Tm, Lu) with 3D Mn–Sn framework
- Source :
- Journal of Solid State Chemistry. 183:2032-2039
- Publication Year :
- 2010
- Publisher :
- Elsevier BV, 2010.
-
Abstract
- Four new isostructural rare earth manganese stannides, namely RE3MnSn5−x (x=0.16(6), 0.29(1) for RE=Tm, x=0.05(8), 0.21(3) for RE=Lu), have been obtained by reacting the mixture of corresponding pure elements at high temperature. Single-crystal X-ray diffraction studies revealed that they crystallized in the orthorhombic space group Pnma (No. 62) with cell parameters of a=18.384(9)–18.495(6) A, b=6.003(3)–6.062(2) A, c=14.898(8)–14.976(4) A, V=1644.3(14)–1679.0(9) A3 and Z=8. Their structures belong to the Hf3Cr2Si4 type and feature a 3D framework composed of 1D [Mn2Sn7] chains interconnected by [Sn3] double chains via Sn–Sn bonds, forming 1D large channels based on [Mn4Sn16] 20-membered rings along the b-axis, which are occupied by the rare earth atoms. Electronic structure calculations based on density functional theory (DFT) for idealized “RE3MnSn5” model indicate that these compounds are metallic, which are in accordance with the results from temperature-dependent resistivity measurements.
- Subjects :
- chemistry.chemical_classification
Double bond
Neutron diffraction
Space group
Crystal structure
Condensed Matter Physics
Electronic, Optical and Magnetic Materials
Inorganic Chemistry
Crystallography
chemistry
Materials Chemistry
Ceramics and Composites
Orthorhombic crystal system
Density functional theory
Physical and Theoretical Chemistry
Isostructural
Stannide
Subjects
Details
- ISSN :
- 00224596
- Volume :
- 183
- Database :
- OpenAIRE
- Journal :
- Journal of Solid State Chemistry
- Accession number :
- edsair.doi...........40803b9485c7f62c435972b7586f9c77