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DOE OSTI2020

Materials Data on Yb(MnSi)2 by Materials Project

YbMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.06 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.55 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbMnSi by Materials Project

YbMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.07 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.64 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Yb2+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗