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Title: Materials Data on U2Fe3Ge by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196112· OSTI ID:1196112

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1196112
Report Number(s):
mp-20917
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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