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Materials Data on ScGa2Ni by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187803· OSTI ID:1187803
ScNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Sc–Ni bond lengths. There are a spread of Sc–Ga bond distances ranging from 2.86–3.15 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ga atoms. There are two shorter (2.45 Å) and four longer (2.49 Å) Ni–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Sc, three equivalent Ni, and two equivalent Ga atoms. There are one shorter (2.60 Å) and one longer (2.71 Å) Ga–Ga bond lengths.
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:
1187803
Report Number(s):
mp-11401
Country of Publication:
United States
Language:
English

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