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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbSiIr by Materials Project

TbIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Tb–Ir bond distances ranging from 2.99–3.32 Å. There are two shorter (2.97 Å) and three longer (3.02 Å) Tb–Si bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.48–2.59 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(SiIr)2 by Materials Project

TbIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Tb–Ir bond lengths are 3.23 Å. All Tb–Si bond lengths are 3.14 Å. Ir is bonded to four equivalent Tb and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing IrTb4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Si5Ir3 by Materials Project

Tb2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb3+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.95–3.26 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.46 Å) and two longer (2.59 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.34–2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.54 Å. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Tb3+, three Ir+4.67+, and two equivalent Si4- atoms. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Ir+4.67+ atoms.

36 MATERIALS SCIENCE↗