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Materials Data on TbFeSi2 by Materials Project

TbFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Tb–Fe bond lengths. There are a spread of Tb–Si bond distances ranging from 3.04–3.13 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Si atoms. There are two shorter (2.24 Å) and two longer (2.27 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three Si atoms. There are two shorter (2.35 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Fe, and one Si atom.

36 MATERIALS SCIENCE↗

Materials Data on TbFeSi2 by Materials Project

TbFeSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine Si atoms. There are two shorter (3.10 Å) and one longer (3.17 Å) Tb–Fe bond lengths. There are a spread of Tb–Si bond distances ranging from 2.89–3.20 Å. Fe is bonded in a 5-coordinate geometry to three equivalent Tb and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.24–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Tb, four equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗