Single crystal neutron diffraction analysis of the cation distribution in the high temperature phases. cap alpha. -Cu/sub 2-x/S,. cap alpha. -Cu/sub 2-x/Se, and. cap alpha. -Ag/sub 2/Se
The distribution and thermal vibration of the mobile cations have been studied for ..cap alpha..-Cu/sub 2-x/S (200/sup 0/C), ..cap alpha..-Cu/sub 2-x/Se (160, 210, and 360/sup 0/C), and ..cap alpha..-Ag/sub 2/Se (135, 150, 200, and 300/sup 0/C). Both ..cap alpha..-Cu/sub 2-x/S and ..cap alpha..-Cu/sub 2-x/Se, space group Fm3m, have an fcc anion array within which anharmonically-vibrating Cu atoms are displaced from the centers of the tetrahedra towards the vacant octahedral interstices. ..cap alpha..-Ag/sub 2/Se, space group Im3m, has Se in bcc packing and displays a cation distribution which is delocalized in channels along <100> similar to ..beta..-Ag/sub 2/S. Local maxima in the Ag density occur in pairs about the center of the tetrahedral interstice. 14 refs., 2 figs., 3 tabs.
- Research Organization:
- Brookhaven National Lab., Upton, NY (USA); Massachusetts Inst. of Tech., Cambridge (USA). Dept. of Materials Science and Engineering
- DOE Contract Number:
- AC02-76CH00016
- OSTI ID:
- 6089204
- Report Number(s):
- BNL-40226; CONF-8709116-5; ON: DE87014915
- Resource Relation:
- Conference: 6. international conference on solid state ionics, Garmisch-Partenkirchen, F.R. Germany, 6 Sep 1987; Other Information: Portions of this document are illegible in microfiche products
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
COPPER SELENIDES
CATIONS
CRYSTAL STRUCTURE
COPPER SULFIDES
SILVER SELENIDES
BCC LATTICES
FCC LATTICES
HCP LATTICES
HIGH TEMPERATURE
IONIC CONDUCTIVITY
MONOCRYSTALS
NEUTRON DIFFRACTION
SILVER SULFIDES
CHALCOGENIDES
CHARGED PARTICLES
COHERENT SCATTERING
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTALS
CUBIC LATTICES
DIFFRACTION
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
HEXAGONAL LATTICES
IONS
PHYSICAL PROPERTIES
SCATTERING
SELENIDES
SELENIUM COMPOUNDS
SILVER COMPOUNDS
SULFIDES
SULFUR COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
360602* - Other Materials- Structure & Phase Studies