Redetermination of MoPt3Si4 from single-crystal data

The crystal structure of molybdenum triplatinum tetrasilicide, MoPt(3)Si(4), determined previously from powder diffraction data [Joubert et al. (2010 ▶). J. Solid State Chem.183, 173-179], has been redetermined using a single crystal synthesized from the elements by high-frequency melting. The redetermination provides more precise geometrical data and also anisotropic displacement parameters. The crystal structure can be considered to be derived from the PtSi structure type with an ordered substitution of Pt by Mo atoms, but leading to a very distorted Si network compared to the parent structure. Mo and Pt exhibit different coordination polyhedra. These are based on bicapped-square anti-prisms, but with two additional vertices in cis positions for Mo, whereas they are in trans positions for Pt (as in PtSi). The coordination polyhedra for three of the Si atoms can be considered as highly deformed square anti-prisms (as in PtSi), while the fourth Si atom has a bicapped trigonal-prismatic coordination geometry.