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Title: Materials Data on Eu2(Ga3Ir)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1266792· OSTI ID:1266792

Eu2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.09–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are two shorter (2.63 Å) and six longer (2.64 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.61–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.89 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.97 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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:
1266792
Report Number(s):
mp-542930
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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