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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Fe2Ge by Materials Project

Fe2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Ge atoms. There are two shorter (2.50 Å) and six longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.69 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.39 Å) and two longer (2.50 Å) Fe–Ge bond lengths. Ge is bonded in a 5-coordinate geometry to eleven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2Ge by Materials Project

Fe2Ge crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded in a 11-coordinate geometry to five equivalent Fe and six equivalent Ge atoms. There are three shorter (2.40 Å) and two longer (2.63 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.74 Å. Ge is bonded in a 12-coordinate geometry to twelve equivalent Fe and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(Fe2Ge)2 by Materials Project

Yb(Fe2Ge)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Ge atoms. There are four shorter (3.12 Å) and eight longer (3.30 Å) Yb–Fe bond lengths. There are two shorter (2.91 Å) and four longer (2.92 Å) Yb–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Ge atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(Fe2Ge)2 by Materials Project

DyFe4Ge2 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 Ge atoms. There are four shorter (3.15 Å) and eight longer (3.30 Å) Dy–Fe bond lengths. All Dy–Ge bond lengths are 2.93 Å. Fe is bonded in a 3-coordinate geometry to three equivalent Dy and three equivalent Ge atoms. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(Fe2Ge)2 by Materials Project

ErFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.39 Å. There are two shorter (2.93 Å) and four longer (2.97 Å) Er–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Er, four Fe, and three equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. All Fe–Ge bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Er, four Fe, and four equivalent Ge atoms. The Fe–Fe bond length is 2.66 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.66 Å. Ge is bonded in a 10-coordinate geometry to three equivalent Er and seven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(Fe2Ge)2 by Materials Project

ErFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Ge atoms. There are four shorter (3.12 Å) and eight longer (3.28 Å) Er–Fe bond lengths. There are two shorter (2.90 Å) and four longer (2.92 Å) Er–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(Fe2Ge)2 by Materials Project

UFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to four equivalent Fe and six equivalent Ge atoms. All U–Fe bond lengths are 2.95 Å. There are two shorter (2.89 Å) and four longer (2.92 Å) U–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to one U and three equivalent Ge atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(Fe2Ge)2 by Materials Project

TmFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tm is bonded to six equivalent Ge atoms to form a mixture of distorted edge and corner-sharing TmGe6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.91 Å) and four longer (2.94 Å) Tm–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(Fe2Ge)2 by Materials Project

HoFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Ge atoms. There are four shorter (3.17 Å) and eight longer (3.27 Å) Ho–Fe bond lengths. There are two shorter (2.91 Å) and four longer (2.94 Å) Ho–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Ho and three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(Fe2Ge)2 by Materials Project

YFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Y–Fe bond distances ranging from 3.05–3.40 Å. There are two shorter (2.95 Å) and four longer (2.97 Å) Y–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Y, four Fe, and four equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.64 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.68 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Y, three equivalent Fe, and three equivalent Ge atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Fe–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to three equivalent Y and seven Fe atoms.

36 MATERIALS SCIENCE↗