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DOE OSTI2020

Materials Data on GdSI by Materials Project

GdSI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one GdSI sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of corner and edge-sharing GdS4I2 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two shorter (2.76 Å) and two longer (2.77 Å) Gd–S bond lengths. Both Gd–I bond lengths are 3.09 Å. S2- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted corner and edge-sharing SGd4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Gd3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on GdSi by Materials Project

GdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Gd–Si bond distances ranging from 2.99–3.18 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Gd and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗