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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd(MnSi)2 by Materials Project

GdMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.05 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, 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 GdMnSi by Materials Project

GdMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Gd–Mn bond lengths are 3.11 Å. There are four shorter (2.95 Å) and one longer (3.37 Å) Gd–Si bond lengths. Mn is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnGd4Si4 tetrahedra. All Mn–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗