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Materials Data on LuAgGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1759202· OSTI ID:1759202
LuAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Lu–Ag bond lengths. There are one shorter (2.94 Å) and four longer (2.98 Å) Lu–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Lu, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.13 Å. There are two shorter (2.69 Å) and two longer (2.74 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Ag atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1759202
Report Number(s):
mp-1205963
Country of Publication:
United States
Language:
English

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