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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U3TiGe5 by Materials Project

U3TiGe5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of U–Ge bond distances ranging from 2.93–3.03 Å. Ti is bonded to six equivalent Ge atoms to form face-sharing TiGe6 octahedra. All Ti–Ge bond lengths are 2.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted edge, face, and corner-sharing GeU5Ti2 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Ti3Ge4 by Materials Project

U2Ti3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.85–3.05 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.60–2.73 Å. In the second Ti site, Ti is bonded to six Ge atoms to form corner-sharing TiGe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.72 Å) and four longer (2.76 Å) Ti–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Ti, and one Ge atom. The Ge–Ge bond length is 2.74 Å.

36 MATERIALS SCIENCE↗