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DOE OSTI2020

Materials Data on HoSI by Materials Project

HoSI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HoSI sheet oriented in the (0, 0, 1) direction. Ho3+ is bonded to four equivalent S2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing HoS4I2 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two shorter (2.72 Å) and two longer (2.73 Å) Ho–S bond lengths. Both Ho–I bond lengths are 3.04 Å. S2- is bonded to four equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing SHo4 trigonal pyramids. I1- is bonded in an L-shaped geometry to two equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoSi by Materials Project

HoSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to seven equivalent Si atoms. There are a spread of Ho–Si bond distances ranging from 2.94–3.12 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Ho and two equivalent Si atoms. Both Si–Si bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoSi by Materials Project

HoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Ho–Si bond distances ranging from 2.93–3.15 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Ho and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗