6533b86dfe1ef96bd12ca8f3

RESEARCH PRODUCT

Ti2Sn3:  A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature

Philipp GütlichMarkus WaldeckHolger Kleinke

subject

CrystalCrystallographyParamagnetismMaterials scienceElectrical resistivity and conductivityGeneral Chemical EngineeringMaterials ChemistryIntermetallicOrthorhombic crystal systemGeneral ChemistryStannideElectronic band structureSquare antiprism

description

Ti2Sn3 was obtained by chemical transport using iodine as the transport agent in a sealed quartz ampule at 500 °C. Its crystal structurea new type structurewas determined via single-crystal structure analysis to be orthorhombic, space group Cmca, a = 595.56(4), b = 1996.4(2), c = 702.81(5) pm, V = 835.6(1) × 106 pm3, and Z = 8. The structure can be derived from a three-dimensional condensation of a single polyhedron, which comprises a Ti atom in the center, surrounded by seven Sn and four Ti atoms forming a tri-capped square antiprism. Supporting the results of the self-consistent band structure calculations, Ti2Sn3 is a metallic p-type conductor, exhibiting Pauli paramagnetism and a specific resistivity of 160 μΩ cm at room temperature. 119Sn Mossbauer spectroscopy revealed Ti2Sn3 to be a stannide with three chemically slightly different Sn atoms.

https://doi.org/10.1021/cm000131z