Buckled crystalline structure of mixed ionic salts

A. Frenkel; E. A. Stern; A. Voronel; M. Qian; M. Newville

doi:10.1103/physrevlett.71.3485

Buckled crystalline structure of mixed ionic salts

A. Frenkel
, E. A. Stern
, A. Voronel
, M. Qian
, M. Newville

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

57 Scopus citations

Abstract

X-ray absorption fine structure (XAFS) measurements of mixed salts RbxK1-xBr and RbBryCl1-y at their congruent melting points compositions reveal that their actual structure buckles about the NaCl average structure with an rms angular deviation from collinearity of 7 9°. XAFS measures the buckling directly through three-body correlations, and verifies the homogeneity and randomness of the mixtures. The characteristic ionic sizes are found to be dependent on concentration, causing changes to 0.1 in interatom bond distances. A computer simulation based on the information from XAFS and diffraction displays the actual structure of the salts.

Original language	English
Pages (from-to)	3485-3488
Number of pages	4
Journal	Physical Review Letters
Volume	71
Issue number	21
DOIs	https://doi.org/10.1103/physrevlett.71.3485
State	Published - 1993
Externally published	Yes

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abstract = "X-ray absorption fine structure (XAFS) measurements of mixed salts RbxK1-xBr and RbBryCl1-y at their congruent melting points compositions reveal that their actual structure buckles about the NaCl average structure with an rms angular deviation from collinearity of 7 9°. XAFS measures the buckling directly through three-body correlations, and verifies the homogeneity and randomness of the mixtures. The characteristic ionic sizes are found to be dependent on concentration, causing changes to 0.1 in interatom bond distances. A computer simulation based on the information from XAFS and diffraction displays the actual structure of the salts.",

author = "A. Frenkel and Stern, \{E. A.\} and A. Voronel and M. Qian and M. Newville",

year = "1993",

doi = "10.1103/physrevlett.71.3485",

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AU - Frenkel, A.

AU - Stern, E. A.

AU - Voronel, A.

AU - Qian, M.

AU - Newville, M.

PY - 1993

Y1 - 1993

N2 - X-ray absorption fine structure (XAFS) measurements of mixed salts RbxK1-xBr and RbBryCl1-y at their congruent melting points compositions reveal that their actual structure buckles about the NaCl average structure with an rms angular deviation from collinearity of 7 9°. XAFS measures the buckling directly through three-body correlations, and verifies the homogeneity and randomness of the mixtures. The characteristic ionic sizes are found to be dependent on concentration, causing changes to 0.1 in interatom bond distances. A computer simulation based on the information from XAFS and diffraction displays the actual structure of the salts.

AB - X-ray absorption fine structure (XAFS) measurements of mixed salts RbxK1-xBr and RbBryCl1-y at their congruent melting points compositions reveal that their actual structure buckles about the NaCl average structure with an rms angular deviation from collinearity of 7 9°. XAFS measures the buckling directly through three-body correlations, and verifies the homogeneity and randomness of the mixtures. The characteristic ionic sizes are found to be dependent on concentration, causing changes to 0.1 in interatom bond distances. A computer simulation based on the information from XAFS and diffraction displays the actual structure of the salts.

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JO - Physical Review Letters

JF - Physical Review Letters

IS - 21

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Buckled crystalline structure of mixed ionic salts

Abstract

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