Structural aspects of fast copper mobility in Cu{sub 6}PS{sub 5}Cl-The best solid electrolyte from Cu{sub 6}PS{sub 5}X series

Journal Article · Tue Apr 15 00:00:00 EDT 2008 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2008.01.026· OSTI ID:21128246

Pietraszko, A ^[1]; Kaynts, D ^[2]

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1. W. Trzebiatowski Institute of Low Temperature and Structure Research, PAS, P.O. Box 1410, 50-950 Wroclaw (Poland)
2. Uzhhorod State University, 46 Pidhirna St., Uzhhorod 294000 (Ukraine)

The structural origin of fast copper conduction in Cu{sub 6}PS{sub 5}Cl single crystals is discussed. Cu{sub 6}PS{sub 5}Cl crystallises in the same cubic F4-bar3m symmetry as the other Cu{sub 6}PS{sub 5}X's, X=Cl,I,Br. However, this phase is stabilised at much lower temperatures (down to 160 K) and is characterised by higher level of disorder in copper substructure. Complex domain structure developing at low temperatures proves that Cu{sub 6}PS{sub 5}Cl undergoes ferroelastic phase transition (PT) associated with cubic F4-bar3m to monoclinic Cc symmetry change. The structural distortion connected with this transformation is very subtle. X-ray diffraction measurements show strong precursor phenomena below 205 K which correspond to the low temperature phase and point out to copper ordering in nano- or microscopic scale above the temperature of ferroelastic phase transition (PT). The pseudopotential based on copper joint probability density function is calculated along diffusion paths at 175 and 435 K. - Coordination of copper mobile ions in superionic phase of Cu{sub 6}PS{sub 5}Cl, T=435K.

• OSTI ID: 21128246
• Journal Information: Journal of Solid State Chemistry, Vol. 181, Issue 4; Other Information: DOI: 10.1016/j.jssc.2008.01.026; PII: S0022-4596(08)00040-6; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CHLORIDES
COPPER COMPOUNDS
CRYSTAL-PHASE TRANSFORMATIONS
CUBIC LATTICES
DOMAIN STRUCTURE
ELECTRIC CONDUCTORS
MOBILITY
MONOCLINIC LATTICES
MONOCRYSTALS
PHOSPHIDES
PROBABILITY DENSITY FUNCTIONS
SOLID ELECTROLYTES
SULFIDES
SYMMETRY
TEMPERATURE RANGE 0065-0273 K
TEMPERATURE RANGE 0273-0400 K
TEMPERATURE RANGE 0400-1000 K
X-RAY DIFFRACTION