Die Struktur der Hochtemperatur-Modifikationen des CuBr und CuJ

Krug, Joachim; Sieg, L.

doi:10.1515/zna-1952-0510

Cited by 65 publications

(17 citation statements)

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“…Hence, if simplicity is of essence, the bcc description of Se and O is preferred. Homogenous anion bcc lattices have been reported for a-AgI [10] and a-CuBr, [11] but the cations involved were found on split positions as a result of structural disorder. Even more similar to the title compound is the antiperovskite Ag 3 SI, where the same anion ordering as in Fe 2 SeO evolves into a bcc lattice.…”

Section: Metal Vacancy Ordering In An Antiperovskite Resulting In Twomentioning

confidence: 99%

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

et al. 2016

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Small, red Fe2 SeO single crystals in two modifications were obtained from a CsCl flux. The metastable α-phase is pseudo-tetragonal (Cmce, a=16.4492(8) Å, b=11.1392(4) Å, c=11.1392(4) Å), whereas the β-phase is trigonal (P31 , a=9.8349(4) Å, c=6.9591(4) Å)) and thermodynamically stable within a narrow temperature range. Both crystal structures were solved from twinned specimens. The enantiomers of the β-phase appear as racemic mixtures. Selenium and oxygen form two individual interpenetrating primitive cubic lattices, giving a bcc packing. A quasi-octahedrally coordinated iron atom is found close to the center of each surface of the selenium sublattice. The difference between the α- and β-phases is the distribution of iron at 2/3 of the surfaces. α- and β-Fe2 SeO are comparable with metal-vacancy-ordered antiperovskites. Each Fe/O lattice can also be described in terms of vertex-sharing OFe4 tetrahedra, with a crystal structure similar to that of an antisilicate. Iron is divalent and has a high-spin d(6) (S=2) configuration. The β-phase exhibits magnetoelectric coupling.

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Section: Metal Vacancy Ordering In An Antiperovskite Resulting In Twomentioning

confidence: 99%

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

et al. 2016

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“…In 1952, Krug and Sieg in Germany [87] and Hoshino in Japan [88] independently ascertained that α -CuBr was isostructural with α -AgI, with regard to both the bcc anion lattice and the disorder of the cations.…”

Section: Agi-type Solid Electrolytesmentioning

confidence: 99%

“…By contrast with α -AgI and α -CuBr, the high-temperature phase of cuprous iodide, α -CuI, was found to have a face-centered cubic (fcc) anion lattice [87]. This was not unexpected in view of the ratios of the cationic to anionic radii of these three compounds, since the voids provided by an fcc anion lattice are smaller than those in a bcc structure.…”

Section: Agi-type Solid Electrolytesmentioning

confidence: 99%

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Solid State Ionics: from Michael Faraday to green energy—the European dimension

Funke¹

2013

Science and Technology of Advanced Materials

149

102

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Solid State Ionics has its roots essentially in Europe. First foundations were laid by Michael Faraday who discovered the solid electrolytes Ag2S and PbF2 and coined terms such as cation and anion, electrode and electrolyte. In the 19th and early 20th centuries, the main lines of development toward Solid State Ionics, pursued in Europe, concerned the linear laws of transport, structural analysis, disorder and entropy and the electrochemical storage and conversion of energy. Fundamental contributions were then made by Walther Nernst, who derived the Nernst equation and detected ionic conduction in heterovalently doped zirconia, which he utilized in his Nernst lamp. Another big step forward was the discovery of the extraordinary properties of alpha silver iodide in 1914. In the late 1920s and early 1930s, the concept of point defects was established by Yakov Il'ich Frenkel, Walter Schottky and Carl Wagner, including the development of point-defect thermodynamics by Schottky and Wagner. In terms of point defects, ionic (and electronic) transport in ionic crystals became easy to visualize. In an ‘evolving scheme of materials science’, point disorder precedes structural disorder, as displayed by the AgI-type solid electrolytes (and other ionic crystals), by ion-conducting glasses, polymer electrolytes and nano-composites. During the last few decades, much progress has been made in finding and investigating novel solid electrolytes and in using them for the preservation of our environment, in particular in advanced solid state battery systems, fuel cells and sensors. Since 1972, international conferences have been held in the field of Solid State Ionics, and the International Society for Solid State Ionics was founded at one of them, held at Garmisch-Partenkirchen, Germany, in 1987.

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“…a-CuI was initially proposed to be isostructural with the ambient temperature g-CuI phase, but with large displacements of the Cu þ in h1 1 1i directions [22], whilst the results of EXAFS studies have suggested that the cations are disordered over all the tet and oct positions [23]. However, the findings of neutron diffraction studies have indicated that the Cu þ are predominantly restricted to the tet positions within space group Fm 3m (such that the tet sites form a single set in the 8(c) positions) [24,25].…”

Section: Copper Iodide (Cui)mentioning

confidence: 99%

Superionic Materials: Structural Aspects

Hull

2009

Solid State Electrochemistry I

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Superionic conductors are solids which show high levels of ionic conductivity, which often approach values more typical of ionic liquids. This behavior is associated with the presence of extensive dynamic disorder within the crystalline lattice, and the nature of the defects has long proved a challenge to both experimental and computational approaches. This chapter provides a short introduction to the major techniques used to probe the structure-property relationships within superionic conductors, highlighting the roles of X-ray diffraction, neutron diffraction, EXAFS, NMR, and molecular dynamics methods. The relative advantages and limitations of each method are briefly described, followed by a discussion of the major families of highly conducting compounds and an assessment of the current state of knowledge concerning their structural properties. OverviewThe high levels of ionic conductivity associated with superionic conductors, which often approach values more typical of ionic liquids, are associated with the presence of extensive dynamic disorder within the crystalline lattice. As a consequence, a full understanding of the interplay between the structural and conducting properties of these important materials requires a detailed characterization of both the long-range arrangement of the ions within the crystal lattice and the short-range ion-ion correlations within the defects. The presence of significant levels of disorder, which can be both intrinsic (thermally induced) and extrinsic (due to chemical doping) in origin, presents a challenge to the conventional experimental methods used to provide structural information. In the case of superionic conductors, no one technique can provide a complete picture, and it is often necessary to employ several complementary approaches, of which X-ray diffraction (XRD), neutron diffraction, Solid State Electrochemistry I: Fundamentals, Materials and their Applications. Edited by Vladislav V. Kharton

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Die Struktur der Hochtemperatur-Modifikationen des CuBr und CuJ

Abstract: Die α- und β-Modifikationen des CuBr und CuJ wurden röntgenographisch untersucht und plausible Strukturen dafür angegeben.

Cited by 65 publications

References 0 publications

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

Solid State Ionics: from Michael Faraday to green energy—the European dimension

Superionic Materials: Structural Aspects

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Die Struktur der Hochtemperatur-Modifikationen des CuBr und CuJ

Abstract: Die α- und β-Modifikationen des CuBr und CuJ wurden röntgenographisch untersucht und plausible Strukturen dafür angegeben.

Cited by 65 publications

References 0 publications

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe2SeO

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe2SeO

Solid State Ionics: from Michael Faraday to green energy—the European dimension

Superionic Materials: Structural Aspects

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Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO

Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe₂SeO