Ordered vacancies in the commensurately modulated structure of SrPt1.833☐0.167Sn2
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Christian Schwickert
Abstract
The stannide SrPt1.833☐0.167Sn2 was synthesized from the elements in a sealed niobium tube in a high-frequency furnace. Its structure was determined by and refined on the basis of single crystal X-ray diffraction data at 300 and 90 K. The refinement of 1177/1169 F2 values with 34/37 variables leads to residuals [I≥3σ(I)] RM=0.026 (375) and RS=0.075 (53)/RM=0.0211 (408) and RS=0.0503 (128) for the 300/90 K data sets, respectively. SrPt1.833☐0.167Sn2 crystallizes with an orthorhombic (3+1)D structure with the supercentered superspace group Ccmme(0β0)s00 [β=1/3 b*, a=655.25(15), b=656.7(4), c=2062.3(5) pm]. It is related to the tetragonal CaBe2Ge2 type structure. The crystal chemistry is described and the structure solution is discussed based on (3+2)D–(3+1)D–3D group-subgroup relations in the Bärnighausen formalism. 119Sn Mössbauer spectra at ambient temperature and 78 K revealed a single signal with isomer shifts of δ=1.78(1) and δ=1.83(1) mm s–1 with quadropole splitting of ΔEQ=0.71(1) and 0.86(1) mm s–1, respectively reflecting the low-symmetric site symmetry of the tin atoms. SrPt1.833☐0.167Sn2 was classified as a Pauli-paramagnet by magnetic susceptibility measurements. Its specific heat capacity is Cpm=121.4(1) J mol–1K–1 at 300 K.
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Details may be obtained from: Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen (Germany), by quoting the Registry No’s. CSD–427592 (90 K data).
Acknowledgments
This work was supported by the Deutsche Forschungsgemeinschaft through SPP 1458 Hochtemperatursupraleitung in Eisenpnictiden.
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©2014 by Walter de Gruyter Berlin/Boston
Artikel in diesem Heft
- Frontmatter
- Graphical Synopsis
- Inorganic Crystal Structures
- The co-ordination number rule and the rule of hardness, powerful tools to rationalize inorganic structures
- Solvothermal and ionothermal syntheses and structures of amine- and/or (poly-)chalcogenide coordinated metal complexes
- Anhydrous lithium borate, Li3B11O18, crystal structure, phase transition and thermal expansion
- Experimental and theoretical investigation of the new, metastable compound Cr3Sb
- A comparative study of crystallographic van der Waals radii
- Ordered vacancies in the commensurately modulated structure of SrPt1.833☐0.167Sn2
- Organic and Metalorganic Crystal Structures
- X-ray structures of heteroleptic zinc(II) complexes involving combinations of O,O′-dialkyldithiophosphato and bidentate N-donor ligands
Artikel in diesem Heft
- Frontmatter
- Graphical Synopsis
- Inorganic Crystal Structures
- The co-ordination number rule and the rule of hardness, powerful tools to rationalize inorganic structures
- Solvothermal and ionothermal syntheses and structures of amine- and/or (poly-)chalcogenide coordinated metal complexes
- Anhydrous lithium borate, Li3B11O18, crystal structure, phase transition and thermal expansion
- Experimental and theoretical investigation of the new, metastable compound Cr3Sb
- A comparative study of crystallographic van der Waals radii
- Ordered vacancies in the commensurately modulated structure of SrPt1.833☐0.167Sn2
- Organic and Metalorganic Crystal Structures
- X-ray structures of heteroleptic zinc(II) complexes involving combinations of O,O′-dialkyldithiophosphato and bidentate N-donor ligands
