The clathrate Ba{sub 8}Cu{sub x}Ge{sub 46-x-y}square{sub y}: Phase equilibria and crystal structure

Journal Article · Wed Jul 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.04.006· OSTI ID:21370479

Melnychenko-Koblyuk, Nataliya; Grytsiv, Andriy ^[1]; Rogl, Peter ^[1]; Schmid, Harald ^[1]; Giester, Gerald ^[2]

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1. Institute of Physical Chemistry, University of Vienna, A-1090 Wien (Austria)
2. Institute of Mineralogy and Crystallography, University of Vienna, A-1090 Wien (Austria)

Phase relations at 700 deg. C, 800 deg. C and solidus temperatures have been derived for the clathrate system Ba{sub 8}Cu{sub x}Ge{sub 46-x-y}square{sub y} via X-ray single crystal and powder diffractometry combined with electron probe micro analysis and differential thermal analysis. The ternary clathrate phase derives from binary Ba{sub 8}Ge{sub 43}square{sub 3} and extends up to x=6. Structure investigations define cubic primitive symmetry with the space group type Pm3-barn consistent with a clathrate type I structure throughout the entire homogeneity region 0<x<=6 but defect-free Ba{sub 8}Cu{sub x}Ge{sub 46-x} exists for x>=5.5. - Graphical Abstract: Cages and atom thermal displacement parameters in clathrate Ba{sub 8}Cu{sub x}Ge{sub 46-x-y}square{sub y} for Ba{sub 8}Cu{sub 2}Ge{sub 42}square{sub 2} and Ba{sub 8}Cu{sub 6}Ge{sub 40}.

• OSTI ID: 21370479
• Journal Information: Journal of Solid State Chemistry, Vol. 182, Issue 7; Other Information: DOI: 10.1016/j.jssc.2009.04.006; PII: S0022-4596(09)00163-7; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BARIUM COMPOUNDS
CLATHRATES
COPPER COMPOUNDS
CUBIC LATTICES
DIFFERENTIAL THERMAL ANALYSIS
ELECTRON MICROPROBE ANALYSIS
GERMANIUM COMPOUNDS
MONOCRYSTALS
PHASE DIAGRAMS
SPACE GROUPS
TEMPERATURE RANGE 0400-1000 K
TEMPERATURE RANGE 1000-4000 K
X-RAY DIFFRACTION
X-RAY PHOTOELECTRON SPECTROSCOPY
ALKALINE EARTH METAL COMPOUNDS
CHEMICAL ANALYSIS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIAGRAMS
DIFFRACTION
ELECTRON SPECTROSCOPY
INFORMATION
MICROANALYSIS
NONDESTRUCTIVE ANALYSIS
PHOTOELECTRON SPECTROSCOPY
SCATTERING
SPECTROSCOPY
SYMMETRY GROUPS
TEMPERATURE RANGE
THERMAL ANALYSIS
TRANSITION ELEMENT COMPOUNDS