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Materials Data on Sr(InCu)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1663890· OSTI ID:1663890
Sr(CuIn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent In atoms. All Sr–Cu bond lengths are 3.37 Å. All Sr–In bond lengths are 3.64 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sr, one Cu, and four equivalent In atoms. The Cu–Cu bond length is 2.50 Å. All Cu–In bond lengths are 2.75 Å. In is bonded to four equivalent Sr and four equivalent Cu atoms to form a mixture of distorted edge, face, and corner-sharing InSr4Cu4 tetrahedra.
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:
1663890
Report Number(s):
mp-1208837
Country of Publication:
United States
Language:
English

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