화학공학소재연구정보센터
International Journal of Hydrogen Energy, Vol.24, No.9, 899-907, 1999
New hydrides of ternary intermetallics based on Zr with Fe, Co, Ni and Sn or Sb
A series of hydrides based on the alloys Zr6M1.5'X-1.5 (M' = Fe, Co, Ni, X = Sn, Sb) and Zr6NiAl2 have been synthesized (conditions of hydrogenation: T = 130 degrees C, P-H2 = 20 MPa) and their crystal structures have been determined using both X-ray and neutron diffraction. During hydrogenation the crystal structure of Zr6M1.5'Sb-1.5 and Zr6Fe1.5Sn1.5 changes from the Fe2P type to the Ni3P type (Zr5M'X2Hsimilar to 11). The hydrogen atoms occupy eight sites, six of those have a tetrahedral coordination whereas two H atoms occupy trigonal bipyramids. The structure of Zr6NiAl2D7.5 (and Zr6NiAl2H9.6) has a doubled c cell parameter reference to the starting alloy; it belongs to the Zr6FeAl2D10 structure type.