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Materials Data on In2Cu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350333· OSTI ID:1350333
CuIn2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a 3-coordinate geometry to nine In atoms. There are three shorter (2.71 Å) and six longer (3.21 Å) Cu–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a trigonal planar geometry to three equivalent Cu and six equivalent In atoms. All In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 12-coordinate geometry to six equivalent Cu and eight In atoms. Both In–In bond lengths are 3.45 Å.
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:
1350333
Report Number(s):
mp-1018730
Country of Publication:
United States
Language:
English

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