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Materials Data on Fe2Si by Materials Project

Fe2Si crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to three equivalent Fe2+ and five equivalent Si4- atoms. All Fe–Fe bond lengths are 2.43 Å. There are a spread of Fe–Si bond distances ranging from 2.37–2.43 Å. In the second Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight Fe2+ and six equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.42 Å. All Fe–Si bond lengths are 2.74 Å. In the third Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to two equivalent Fe2+ and six equivalent Si4- atoms. All Fe–Si bond lengths are 2.43 Å. Si4- is bonded in a distorted body-centered cubic geometry to eleven Fe2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb(Fe2Si)2 by Materials Project

Tb(Fe2Si)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.11 Å) and eight longer (3.18 Å) Tb–Fe bond lengths. There are two shorter (2.83 Å) and four longer (2.89 Å) Tb–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Tb, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.62 Å. There are one shorter (2.37 Å) and two longer (2.38 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Fe2Si by Materials Project

Fe2Si crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe2+ is bonded in a 8-coordinate geometry to four equivalent Fe2+ and four equivalent Si4- atoms. All Fe–Fe bond lengths are 2.49 Å. All Fe–Si bond lengths are 2.38 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Fe2Si by Materials Project

Fe2Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to four equivalent Fe2+ and four equivalent Si4- atoms. All Fe–Fe bond lengths are 2.45 Å. All Fe–Si bond lengths are 2.38 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Fe–Si bond lengths are 2.42 Å. In the third Fe2+ site, Fe2+ is bonded in a 10-coordinate geometry to eight equivalent Fe2+ and two equivalent Si4- atoms. Both Fe–Si bond lengths are 2.77 Å. Si4- is bonded in a distorted body-centered cubic geometry to nine Fe2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy(Fe2Si)2 by Materials Project

Dy(Fe2Si)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.12 Å) and eight longer (3.19 Å) Dy–Fe bond lengths. There are two shorter (2.82 Å) and four longer (2.89 Å) Dy–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Dy, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.69 Å. There are one shorter (2.36 Å) and two longer (2.39 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tm(Fe2Si)2 by Materials Project

Tm(Fe2Si)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.09 Å) and eight longer (3.17 Å) Tm–Fe bond lengths. There are two shorter (2.80 Å) and four longer (2.88 Å) Tm–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Tm, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.65 Å. There are one shorter (2.35 Å) and two longer (2.38 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc(Fe2Si)2 by Materials Project

Sc(Fe2Si)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.00 Å) and eight longer (3.13 Å) Sc–Fe bond lengths. There are two shorter (2.75 Å) and four longer (2.83 Å) Sc–Si bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Si atoms. There are one shorter (2.31 Å) and two longer (2.35 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zr(Fe2Si)2 by Materials Project

ZrFe4Si2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.03 Å) and eight longer (3.13 Å) Zr–Fe bond lengths. There are two shorter (2.77 Å) and four longer (2.83 Å) Zr–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Zr, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.58 Å. There are one shorter (2.31 Å) and two longer (2.35 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Y(Fe2Si)2 by Materials Project

YFe4Si2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.11 Å) and eight longer (3.19 Å) Y–Fe bond lengths. There are two shorter (2.81 Å) and four longer (2.89 Å) Y–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Y, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.69 Å. There are one shorter (2.36 Å) and two longer (2.39 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗