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DOE OSTI2020

Materials Data on Eu(SiAg)2 by Materials Project

EuAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. All Eu–Si bond lengths are 3.27 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.63 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.32 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu2Si3Ag by Materials Project

Eu2AgSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Ag and ten Si atoms to form a mixture of edge and face-sharing EuSi10Ag2 cuboctahedra. Both Eu–Ag bond lengths are 3.30 Å. There are a spread of Eu–Si bond distances ranging from 3.18–3.36 Å. In the second Eu site, Eu is bonded to four equivalent Ag and eight Si atoms to form a mixture of edge and face-sharing EuSi8Ag4 cuboctahedra. There are two shorter (3.28 Å) and two longer (3.29 Å) Eu–Ag bond lengths. There are a spread of Eu–Si bond distances ranging from 3.28–3.33 Å. Ag is bonded in a 9-coordinate geometry to six Eu and three Si atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Eu, one Ag, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Eu, one Ag, and two Si atoms. The Si–Si bond length is 2.35 Å.

36 MATERIALS SCIENCE↗