Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9

Sofie Kastbjerg, Catherine A. Uvarov, Susan M. Kauzlarich, Yu Sheng Chen, Eiji Nishibori, Mark A. Spackman, Bo Brummerstedt Iversen

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Abstract

High resolution single crystal synchrotron X-ray diffraction data measured at 15(2) K were used to solve the structure of the complex intermetallic Zintl phase, Yb 11AlSb 9 (space group Iba2), made up of Yb cations and polyanions along with isolated Sb anions. The 15(2) K cell parameters are a = 11.7383(4) Å, b = 12.3600(4) Å, c = 16.6796(6) Å. The temperature dependence of the structure was investigated through high resolution synchrotron powder X-ray diffraction (PXRD) data measured from 90 K to 1000 K. Rietveld refinements of the crystal structure revealed near linear thermal expansion of Yb 11AlSb 9 with expansion coefficients of 1.49(2) × 10 -5 K -1, 1.71(3) × 10 -5 K -1, 1.13(1) × 10 -5 K -1 for a, b and c, respectively. The chemical bonding in Yb 11AlSb 9 was analyzed using atomic Hirshfeld surfaces, and the analysis supports the presence of the structural elements of Yb cations, [AlSb 4] 9- tetrahedra, [Sb 2] 4- dimers and isolated Sb 3- anions. However, indications of interatomic interactions between the Zintl anions and the Yb cations were also observed.

Original languageEnglish (US)
Pages (from-to)10347-10353
Number of pages7
JournalDalton Transactions
Volume41
Issue number34
DOIs
StatePublished - Sep 14 2012

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Intermetallics
Anions
Cations
Crystal structure
Synchrotrons
Rietveld refinement
Dimers
X ray powder diffraction
Thermal expansion
Single crystals
X ray diffraction
Temperature
polyanions

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Kastbjerg, S., Uvarov, C. A., Kauzlarich, S. M., Chen, Y. S., Nishibori, E., Spackman, M. A., & Iversen, B. B. (2012). Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9 Dalton Transactions, 41(34), 10347-10353. https://doi.org/10.1039/c2dt30278k

Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9 . / Kastbjerg, Sofie; Uvarov, Catherine A.; Kauzlarich, Susan M.; Chen, Yu Sheng; Nishibori, Eiji; Spackman, Mark A.; Iversen, Bo Brummerstedt.

In: Dalton Transactions, Vol. 41, No. 34, 14.09.2012, p. 10347-10353.

Research output: Contribution to journalArticle

Kastbjerg, S, Uvarov, CA, Kauzlarich, SM, Chen, YS, Nishibori, E, Spackman, MA & Iversen, BB 2012, 'Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9 ', Dalton Transactions, vol. 41, no. 34, pp. 10347-10353. https://doi.org/10.1039/c2dt30278k
Kastbjerg S, Uvarov CA, Kauzlarich SM, Chen YS, Nishibori E, Spackman MA et al. Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9 Dalton Transactions. 2012 Sep 14;41(34):10347-10353. https://doi.org/10.1039/c2dt30278k
Kastbjerg, Sofie ; Uvarov, Catherine A. ; Kauzlarich, Susan M. ; Chen, Yu Sheng ; Nishibori, Eiji ; Spackman, Mark A. ; Iversen, Bo Brummerstedt. / Crystal structure and chemical bonding of the intermetallic Zintl phase Yb 11AlSb 9 In: Dalton Transactions. 2012 ; Vol. 41, No. 34. pp. 10347-10353.
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