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DOE OSTI2020

Materials Data on ErSiIr by Materials Project

ErIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Er–Ir bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.91–3.00 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.48–2.60 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er(SiIr)2 by Materials Project

Er(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Er–Ir bond lengths are 3.21 Å. All Er–Si bond lengths are 3.12 Å. Ir is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrEr4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.40 Å.

36 MATERIALS SCIENCE↗