Structure and Properties of Zr2Ni2In and Zr2Ni2Sn

✍ Scribed by Rainer Pöttgen; Richard Dronskowski

• Publisher: Elsevier Science
• Year: 1997
• Tongue: English
• Weight: 270 KB
• Volume: 128
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1996.7224

✦ Synopsis

Zr 2 Ni 2 In and Zr 2 Ni 2 Sn were prepared from the elements by a reaction in an arc melting furnace and subsequent annealing at 1070 K. They crystallize with the tetragonal Er 2 Au 2 Sn-type structure of space group P4 2 /mnm, a ternary ordered version of the Zr 3 Al 2 -type. Both structures were refined from single-crystal X-ray data: a" "715.1(1) pm, c" "663.5(1) pm, V" "0.3393(1) nm 3 , wR2" "0.0442, 324 F 2 values, 18 variables for Zr 2 Ni 2 In and a" "703.2(1) pm, c" "680.1(1) pm, V" "0.3363(1) nm 3 , wR2" "0.0668, 240 F 2 values, 18 variables for Zr 2 Ni 2 Sn. The structures may be described as an intergrowth of CsCl and AlB 2 slabs. According to electronic structure calculations, the occurrence of the superstructure is a second order effect and most likely due to packing reasons (size of the zirconium cation). Compact polycrystalline samples of Zr 2 Ni 2 In and Zr 2 Ni 2 Sn are Pauli paramagnetic and metallic conductors.