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Title: Materials Data on SrCu5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201458· OSTI ID:1201458

SrCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (3.05 Å) and twelve longer (3.31 Å) Sr–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Sr and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuSr4Cu8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.64 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Sr and six equivalent Cu atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1201458
Report Number(s):
mp-2726
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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