Structural disorder in CuBr

Nield, V. M.; McGreevy, R.L.; Keen, D. A.; Hayes, W.

doi:10.1016/0921-4526(94)00166-9

Cited by 42 publications

(56 citation statements)

References 17 publications

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“…[3]). The latter can be body centered cubic (e.g., a-AgI [4,5]), face centered cubic (e.g., a-CuI [6,7]) or hexagonal close packed (e.g., b-CuBr [8]). …”

Section: Introductionmentioning

confidence: 99%

Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides—II: ordered phases within the (AgX)x–(MX)1−x and (CuX)x–(MX)1−x (M=K, Rb and Cs; X=Cl, Br and I) systems

Hull

Berastegui

2004

Journal of Solid State Chemistry

133

118

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“…[3]). The latter can be body centered cubic (e.g., a-AgI [4,5]), face centered cubic (e.g., a-CuI [6,7]) or hexagonal close packed (e.g., b-CuBr [8]). …”

Section: Introductionmentioning

confidence: 99%

Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides—II: ordered phases within the (AgX)x–(MX)1−x and (CuX)x–(MX)1−x (M=K, Rb and Cs; X=Cl, Br and I) systems

Hull

Berastegui

2004

Journal of Solid State Chemistry

133

118

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“…The study of a measured PDF ranges from a simple peak width analysis revealing information about correlated motion to the full profile refinement of the PDF based on a structural model either using the Reverse Monte Carlo technique (Toby and Egami, 1992;Nield et al, 1994) or least square regression (Billinge, 1998). The later can be carried out using the program PDFFIT .…”

Section: Calculating the Pdfmentioning

confidence: 99%

Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation

Proffen¹

2000

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. Many disordered crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte Carlo (RMC) simulations to extract quantitative information about chemical ordering as well as displacements is investigated. The method has been applied to simulated PDFs of disordered structures showing chemical disorder alone as well as in combination with displacements.

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“…By contrast, CuBr undergoes structural phase transitions to its b and a phases at 664 and 744 K, respectively. b-CuBr adopts a disordered wurtzite structure (with the Cu þ distributed over the two sets of tet interstices in the approximate ratio of 3 : 1), and a-CuBr is isostructural with aAgI [36]. Total neutron scattering studies indicated that the Cu þ preferentially adopt a tetrahedral local environment, even though Br À sublattice changes from fcc (g) to hcp (b) to bcc (a) on heating [36].…”

Section: Other Ag þ and Cu þ Halidesmentioning

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

show abstract

Structural disorder in CuBr

Cited by 42 publications

References 17 publications

Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides—II: ordered phases within the (AgX)x–(MX)1−x and (CuX)x–(MX)1−x (M=K, Rb and Cs; X=Cl, Br and I) systems

Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides—II: ordered phases within the (AgX)x–(MX)1−x and (CuX)x–(MX)1−x (M=K, Rb and Cs; X=Cl, Br and I) systems

Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation

Superionic Materials: Structural Aspects

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