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Materials Data on InAu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1656348· OSTI ID:1656348
Au3In crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. There are six shorter (2.92 Å) and six longer (3.16 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Au1- and three equivalent In3+ atoms. All Au–In bond lengths are 2.90 Å. In3+ is bonded in a 6-coordinate geometry to six equivalent Au1- 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:
1656348
Report Number(s):
mp-1223816
Country of Publication:
United States
Language:
English

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