Journal ArticleDOI
Single-crystal structure determination of γ-Ag8SiTe6 and powder X-ray study of low-temperature α and β phases
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In this paper, a cubic system with a symmetry lowering, from face-centered to primitive, and a parameter change from a to ≈2a was solved from 316 independent reflections, and anisotropic least squares refinements gave R = 0.029 with 32 variables.About:
This article is published in Journal of Solid State Chemistry.The article was published on 1992-10-01. It has received 23 citations till now. The article focuses on the topics: Interstitial defect & Crystal structure.read more
Citations
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Local Charge Inhomogeneity and Lithium Distribution in the Superionic Argyrodites Li6PS5X (X = Cl, Br, I).
Nicolò Minafra,Marvin A. Kraft,Tim Bernges,Cheng Li,Roman Schlem,Benjamin J. Morgan,Wolfgang G. Zeier +6 more
TL;DR: The lithium substructure in Li6PS5X is characterized as a function of temperature and anion site disorder, using Rietveld refinements against temperature-dependent neutron diffraction data, and an additional lithium position is revealed, suggesting that the lithium conduction pathway in these materials differs from the most common model proposed in earlier studies.
Journal ArticleDOI
Improved thermoelectric figure of merit of self‐doped Ag8–xGeTe6 compounds with glass‐like thermal conductivity
TL;DR: In this article, nonstoichiometric Ag8-xGeTe6 (x = 0, 0.01, 0., 0.02, and 0.04) compounds with complex crystal structure are demonstrated to exhibit very low thermal conductivities of < 0.28 W/m K, comparable with the calculated theoretical minimum thermal conductivity κmin.
Journal ArticleDOI
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11.
TL;DR: In this paper, the crystal structure of the mineral pearceite, (Ag,Cu)16(As,Sb)2S11, has been solved and refined at 300, 120 and 15 K.
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The pearceite-polybasite group of minerals: Crystal chemistry and new nomenclature rules
TL;DR: In this paper, the authors reported changes to the existing nomenclature for minerals belonging to the pearceite-polybasite group by means of X-ray single-crystal diffraction and electron microprobe.
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Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11.
TL;DR: A pattern of the possible mechanism regulating the type of unit cell that is stabilized is proposed, starting from the hypothetical stoichiometric and fully ordered Ag(15)CuSb(2)S(11) 222-polybasite structure, with a low C2/c monoclinic symmetry and a large 222 supercell.
References
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Journal ArticleDOI
Unit-cell refinement from powder diffraction scans
TL;DR: In this paper, a procedure for the refinement of the crystal unit cell from a powder diffraction scan is presented, and at the end of the refinement a list of indexed intensities is produced.
Journal ArticleDOI
Homoatomic d10–d10 Interactions: Their Effects on Structure and Chemical and Physical Properties
TL;DR: The distinction between valence electrons and essentially inactive core electrons is the basis of many classifying concepts in chemistry as discussed by the authors, and it has recently been recognized that this is an oversimplification and should, at least in some areas, be modified.
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Single-crystal neutron-diffraction study of AgI between 23° and 300°C
TL;DR: In this paper, the silver density in the high-temperature α-form consists of a tetrahedrally coordinated equilibrium position ( 1 4 0 1 2 ) and a three-coordinated saddle point (0.39 0.39 ).
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PROMETHEUS. A program system for investigation of anharmonic thermal vibrations in crystals
TL;DR: Prologetheus as mentioned in this paper is a Fortran IV program system for investigation of anharmonic thermal vibrations in crystals, using elastic X-ray or neutron data, up to sixth-order terms.
Related Papers (5)
Distribution and Ionic Diffusion Path of Silver in γ-Ag8GeTe6: A Temperature Dependent Anharmonic Single Crystal Structure Study
Extinction within the limit of validity of the Darwin transfer equations. I. General formalism for primary and secondary extinction and their applications to spherical crystals
P. J. Becker,Philip Coppens +1 more