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DOE OSTI2020

Materials Data on PrMnSi by Materials Project

PrMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PrMnSi sheet oriented in the (0, 0, 1) direction. Pr is bonded in a 4-coordinate geometry to four equivalent Si atoms. All Pr–Si bond lengths are 3.03 Å. Mn is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.42 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pr and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(MnSi)2 by Materials Project

PrMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.12 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 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.66 Å.

36 MATERIALS SCIENCE↗