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Title: Materials Data on Y3Al3NiGe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1186817· OSTI ID:1186817

Y3NiAl3Ge2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to one Ni, six equivalent Al, and four equivalent Ge atoms. The Y–Ni bond length is 2.81 Å. There are four shorter (3.22 Å) and two longer (3.31 Å) Y–Al bond lengths. All Y–Ge bond lengths are 2.98 Å. Ni is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Ni–Al bond lengths are 2.62 Å. Al is bonded to six equivalent Y, two equivalent Ni, two equivalent Al, and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing AlY6Al2Ni2Ge2 tetrahedra. Both Al–Al bond lengths are 2.74 Å. Both Al–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms.

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:
1186817
Report Number(s):
mp-10209
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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