Studies of the FeyZrSe2 system have led to a semiconducting phase for y=0.16 and to a metallic phase for y=0.41. The structures of both phases have been established through single-crystal X-ray measurements. The compound Fe0.16ZrSe1.94 crystallizes with one formula unit in space group D33d-P-3ml of the trigonal system in a cell of dimensions a=3.763 (1), c=6.118(1) . The structure is of the CdI2-NiAs intermediate type with octahedral coordination of Se atoms about both the Fe and Zr atoms. The compound Fe0.41ZrSe2, the metallic phase, crystallizes with six formula units in space group D66-P6322 of the hexagonal system in a cell of dimensions a=6.011(1), c=12.787(1) . The structure is the same as that of MNb3S6 (M=Mn, Fe, Co, Ni). In this structure, the Fe atoms are in octahedral holes while the Zr atoms are trigonal prismatically coordinated by Se atoms.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry