Single-crystal neutron diffraction study of the fast-ion conductor β-Ag2S between 186 and 325°C

R. J. Cava; F. Reidinger; B. J. Wuensch

doi:10.1016/0022-4596(80)90009-2

Single-crystal neutron diffraction study of the fast-ion conductor β-Ag₂S between 186 and 325°C

R. J. Cava, F. Reidinger, B. J. Wuensch

Research output: Contribution to journal › Article › peer-review

141 Scopus citations

Abstract

Partial Fourier synthesis of the silver ion density in bcc β-Ag₂S at several temperatures reveals cation delocalization in bands along 〈100〉. This density may be analytically represented by use of higher-rank tensors, with partial occupancy of both octahedral and tetrahedral interstices below 200°C, but only tetrahedral occupancy at higher temperatures. R values range from 2.6 to 5.9%. The distribution of mobile ions differs greatly in α-AgI and β-Ag₂S, despite similar anion arrays, reflecting the different silver ion concentrations and characteristics of the bonding present in the respective low-temperature phases.

Original language	English (US)
Pages (from-to)	69-80
Number of pages	12
Journal	Journal of Solid State Chemistry
Volume	31
Issue number	1
DOIs	https://doi.org/10.1016/0022-4596(80)90009-2
State	Published - Jan 1980
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/0022-4596(80)90009-2

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@article{5ec6a60809c643d5ab51f4a83bf031ef,

title = "Single-crystal neutron diffraction study of the fast-ion conductor β-Ag2S between 186 and 325°C",

abstract = "Partial Fourier synthesis of the silver ion density in bcc β-Ag2S at several temperatures reveals cation delocalization in bands along 〈100〉. This density may be analytically represented by use of higher-rank tensors, with partial occupancy of both octahedral and tetrahedral interstices below 200°C, but only tetrahedral occupancy at higher temperatures. R values range from 2.6 to 5.9%. The distribution of mobile ions differs greatly in α-AgI and β-Ag2S, despite similar anion arrays, reflecting the different silver ion concentrations and characteristics of the bonding present in the respective low-temperature phases.",

author = "Cava, {R. J.} and F. Reidinger and Wuensch, {B. J.}",

note = "Funding Information: This research was carried out at Brookhaven National Laboratory under contract with the U.S. Department of Energy and supported, in part, by its Division of Physical Research. Dr. T. Ohachi kindly provided the AgaS crystal used for measurement and Dr. J. S. White, U.S. National Museum, provided mineralogical specimens for preliminary study. To Professor H. Schmalzried, Hannover, we are indebted for the electrochemical determination of the stoichiometry of our specimens. Professor D. K. Smith kindly provided a preprint of his X-ray diffraction study.",

year = "1980",

month = jan,

doi = "10.1016/0022-4596(80)90009-2",

language = "English (US)",

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journal = "Journal of Solid State Chemistry",

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T1 - Single-crystal neutron diffraction study of the fast-ion conductor β-Ag2S between 186 and 325°C

AU - Cava, R. J.

AU - Reidinger, F.

AU - Wuensch, B. J.

N1 - Funding Information: This research was carried out at Brookhaven National Laboratory under contract with the U.S. Department of Energy and supported, in part, by its Division of Physical Research. Dr. T. Ohachi kindly provided the AgaS crystal used for measurement and Dr. J. S. White, U.S. National Museum, provided mineralogical specimens for preliminary study. To Professor H. Schmalzried, Hannover, we are indebted for the electrochemical determination of the stoichiometry of our specimens. Professor D. K. Smith kindly provided a preprint of his X-ray diffraction study.

PY - 1980/1

Y1 - 1980/1

N2 - Partial Fourier synthesis of the silver ion density in bcc β-Ag2S at several temperatures reveals cation delocalization in bands along 〈100〉. This density may be analytically represented by use of higher-rank tensors, with partial occupancy of both octahedral and tetrahedral interstices below 200°C, but only tetrahedral occupancy at higher temperatures. R values range from 2.6 to 5.9%. The distribution of mobile ions differs greatly in α-AgI and β-Ag2S, despite similar anion arrays, reflecting the different silver ion concentrations and characteristics of the bonding present in the respective low-temperature phases.

AB - Partial Fourier synthesis of the silver ion density in bcc β-Ag2S at several temperatures reveals cation delocalization in bands along 〈100〉. This density may be analytically represented by use of higher-rank tensors, with partial occupancy of both octahedral and tetrahedral interstices below 200°C, but only tetrahedral occupancy at higher temperatures. R values range from 2.6 to 5.9%. The distribution of mobile ions differs greatly in α-AgI and β-Ag2S, despite similar anion arrays, reflecting the different silver ion concentrations and characteristics of the bonding present in the respective low-temperature phases.

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Single-crystal neutron diffraction study of the fast-ion conductor β-Ag₂S between 186 and 325°C

Abstract

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