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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DySiAg by Materials Project

DyAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing DySi5 square pyramids. There are one shorter (2.96 Å) and four longer (2.98 Å) Dy–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.69 Å) and two longer (2.74 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Dy3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Dy3+ and six equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiAg)2 by Materials Project

DyAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Si4- atoms to form DySi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent DySi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent DySi8 hexagonal bipyramids. All Dy–Si bond lengths are 3.15 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent DySi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent DySi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Dy3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.29 Å.

36 MATERIALS SCIENCE↗