화학공학소재연구정보센터
Journal of Materials Science, Vol.32, No.7, 1925-1929, 1997
Study on the Structures of N-Containing Melilite Y2Si3O3N4 and Nd2Si2.5Al0.5O3.5N3.5
Rietveld refinements have been used to determine the structure of Y2Si3O3N4 from X-ray data and Nd2Si2.5Al0.5O3.5N3.5 from neutron powder diffraction data. The refinements show that in the melilite phase Y2Si3O3N4 and melilite solid solution Nd2Si2.5Al0.5O3.5N3.5 the distributions of cations and anions are almost identical. They are analogous to the akermanite (Ca2MgSi2O7) structure, with Si/Si,Al atoms at the origin and centre of the unit cell and with four N/N,O atoms forming the SiN4/(Si,Al)(N3.5O0.5) tetrahedra which share corners with SiO2N2/(Si,Al)O2.25N1.75 tetrahedra to form a continuous sheet structure. Each Y3+ or Nd3+ ion is surrounded by eight N/O atoms forming the coordination polyhedron in Y2Si3O3N4 and Nd2Si2.5Al0.5O3.5N3.5 respectively. The arrangement of Al, Si atoms in the tetrahedra in Nd2Si2.5Al0.5O3.5N3.5 structure is also discussed.