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Materials Data on Lu3(MnGa2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1740718· OSTI ID:1740718
Lu3(MnGa2)2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Mn and seven Ga atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Lu–Mn bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.86–3.15 Å. In the second Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Mn and seven Ga atoms. All Lu–Mn bond lengths are 2.93 Å. There are a spread of Lu–Ga bond distances ranging from 2.86–3.13 Å. In the third Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Mn and seven Ga atoms. There are two shorter (2.92 Å) and two longer (2.93 Å) Lu–Mn bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.86–3.12 Å. Mn is bonded in a 9-coordinate geometry to six Lu and three Ga atoms. There are one shorter (2.68 Å) and two longer (2.69 Å) Mn–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, two equivalent Mn, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three Lu and six Ga atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, two equivalent Mn, and two equivalent 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:
1740718
Report Number(s):
mp-1222834
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ga-Lu-Mn
Lu3(MnGa2)2
crystal structure