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DOE OSTI2020

Materials Data on DySI by Materials Project

DySI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DySI sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing DyS4I2 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two shorter (2.73 Å) and two longer (2.74 Å) Dy–S bond lengths. Both Dy–I bond lengths are 3.06 Å. S2- is bonded to four equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySi by Materials Project

DySi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Dy–Si bond distances ranging from 2.95–3.16 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Dy and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySi by Materials Project

DySi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to seven equivalent Si atoms. There are a spread of Dy–Si bond distances ranging from 2.95–3.13 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Dy and two equivalent Si atoms. Both Si–Si bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗