Crystal structure and chemical bonding of the intermetallic Zintl phase Yb(11)AlSb(9) |
| |
Authors: | Sofie Kastbjerg Catherine A Uvarov Susan M Kauzlarich Yu-Sheng Chen Eiji Nishibori Mark A Spackman Bo Brummerstedt Iversen |
| |
Institution: | Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, DK-8000 Aarhus C, Denmark. bo@chem.au.dk. |
| |
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(11)AlSb(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) ?, b = 12.3600(4) ?, c = 16.6796(6) ?. 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(11)AlSb(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(11)AlSb(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. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|