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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U(FeGe)2 by Materials Project

UFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All U–Fe bond lengths are 3.12 Å. All U–Ge bond lengths are 3.11 Å. Fe is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.32 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Fe3Ge by Materials Project

U2Fe3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to one U, nine equivalent Fe, and three equivalent Ge atoms. The U–U bond length is 2.70 Å. There are six shorter (2.90 Å) and three longer (2.96 Å) U–Fe bond lengths. All U–Ge bond lengths are 3.03 Å. Fe is bonded to six equivalent U, four equivalent Fe, and two equivalent Ge atoms to form distorted FeU6Fe4Ge2 cuboctahedra that share corners with four equivalent GeU6Fe6 cuboctahedra, corners with fourteen equivalent FeU6Fe4Ge2 cuboctahedra, edges with six equivalent FeU6Fe4Ge2 cuboctahedra, faces with six equivalent GeU6Fe6 cuboctahedra, and faces with twelve equivalent FeU6Fe4Ge2 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.63 Å) Fe–Fe bond lengths. Both Fe–Ge bond lengths are 2.48 Å. Ge is bonded to six equivalent U and six equivalent Fe atoms to form GeU6Fe6 cuboctahedra that share corners with twelve equivalent FeU6Fe4Ge2 cuboctahedra, edges with six equivalent GeU6Fe6 cuboctahedra, faces with two equivalent GeU6Fe6 cuboctahedra, and faces with eighteen equivalent FeU6Fe4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UFeGe by Materials Project

UFeGe crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 2-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.14–3.09 Å. There are a spread of U–Ge bond distances ranging from 3.03–3.29 Å. In the second U site, U is bonded in a 10-coordinate geometry to four Fe and six Ge atoms. There are a spread of U–Fe bond distances ranging from 2.97–3.18 Å. There are a spread of U–Ge bond distances ranging from 2.97–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.52–3.28 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to four U and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six U and four Fe atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six U and four 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↗