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Materials Data on Ca3(GaNi)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187708· OSTI ID:1187708
Ca3(NiGa)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Ga atoms. All Ca–Ni bond lengths are 3.07 Å. There are four shorter (3.04 Å) and four longer (3.50 Å) Ca–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to three equivalent Ca, three equivalent Ni, and four equivalent Ga atoms. All Ni–Ni bond lengths are 2.57 Å. There are one shorter (2.34 Å) and three longer (2.47 Å) Ni–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to six equivalent Ca and four equivalent Ni 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:
1187708
Report Number(s):
mp-11285
Country of Publication:
United States
Language:
English

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