Crystal structure of Mg0.39(2)NiSn1.61(2) and Mg2.61(2)Ni4Sn3.39(2) featuring mg/ sn atom networks with different connections of ni at (Mg/Sn)8 coordination polyhedra

Lisa Siggelkow, Viktor Hlukhyy, Thomas F. Fässler

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Abstract

The intermetallic compounds Mg0.39(2)NiSn1.61(2) and Mg2.61(2)Ni4Sn3.39(2) are prepared by the reaction of the elements in welded tantalum ampoules in a resistance furnace. The crystal structures of the compounds were investigated by single-crystal X-ray diffraction. Mg0.39(2)NiSn1.61(2) crystallizes in the PdSn2 structure type with the space group I41/acd [a = 6.1941(4) Å, c = 23.498(2) Å, wR2 = 0.078 (all data), 303 F2 values, 19 variable parameters]. The main building block in the crystal structure of Mg0.39(2)NiSn1.61(2) are Ni2@(Mg/Sn)12 polyhedra, which consist of face-sharing Ni-centered square antiprisms. These polyhedra share vertices to form a three-di-mensional network of Mg and Sn atoms. The mixing of small amounts of magnesium in the binary Ni-Sn phase stabilizes the non-existing "NiSn2" in the PdSn2 structure type in form of NiSn2-xMgx with x = 0.39. Mg2.61(2)Ni4Sn3.39(2) crystallizes in an own structure type with space group P 3¯ m1 [a = 4.3230(9) Å, c = 10.490(3) Å, wR2 = 0.048 (all data), 216 F2 values, 21 variable parameters]. The crystal structure of Mg2.61(2)Ni4Sn3.39(2) is described as an intermediate of a Heusler and a Half-Heusler type structure what is demonstrated by group-subgroup relationships.

Original languageEnglish
Pages (from-to)221-228
Number of pages8
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume641
Issue number2
DOIs
StatePublished - Feb 2015

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