Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}: New polar intermetallics with 3D framework structures

Journal Article · Thu Apr 15 00:00:00 EDT 2010 · Journal of Solid State Chemistry

OSTI ID:21372573

Xiaowu, Lei; Zhongming, Sun; Longhua, Li ^[1]; Guohua, Zhong; Chunli, Hu ^[1]

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1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)

The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb{sub 5}Ni{sub 4}Sn{sub 10} adopts the Sc{sub 5}Co{sub 4}Si{sub 10} structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) A, c=4.492 (2) A, V=853.7(5) A{sup 3}, and Z=2. Yb{sub 7}Ni{sub 4}Sn{sub 13} is isostructural with Yb{sub 7}Co{sub 4}InGe{sub 12} and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) A, c=4.5318(4) A, V=562.69(7) A{sup 3}, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. - Graphical abstract: Two new ytterbium nickel stannides, namely, Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}, have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Both their structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are situated by all the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic, which are in accordance with the results from temperature-dependent resistivity and magnetic susceptibility measurements.

• OSTI ID: 21372573
• Journal Information: Journal of Solid State Chemistry, Vol. 183, Issue 4; Other Information: DOI: 10.1016/j.jssc.2010.02.004; PII: S0022-4596(10)00049-6; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
INTERMETALLIC COMPOUNDS
MAGNETIC SUSCEPTIBILITY
MONOCRYSTALS
NICKEL COMPOUNDS
SPACE GROUPS
TEMPERATURE DEPENDENCE
TETRAGONAL LATTICES
TIN COMPOUNDS
X-RAY DIFFRACTION
YTTERBIUM COMPOUNDS
ALLOYS
CALCULATION METHODS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
MAGNETIC PROPERTIES
PHYSICAL PROPERTIES
RARE EARTH COMPOUNDS
SCATTERING
SYMMETRY GROUPS
TRANSITION ELEMENT COMPOUNDS
VARIATIONAL METHODS