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Materials Data on Y2(Ga3Rh)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1726520· OSTI ID:1726520
Y2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.00–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.55–2.65 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.58–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Y, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.86 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Rh, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–2.81 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Y, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.97 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Rh, and six Ga 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:
1726520
Report Number(s):
mp-1207775
Country of Publication:
United States
Language:
English

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