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Title: Materials Data on Cu8O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205514· OSTI ID:1205514

Cu8O crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to eleven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–2.72 Å. In the second Cu site, Cu is bonded in a single-bond geometry to two equivalent Cu and one O atom. The Cu–O bond length is 1.93 Å. In the third Cu site, Cu is bonded in a single-bond geometry to four equivalent Cu and one O atom. The Cu–O bond length is 2.05 Å. In the fourth Cu site, Cu is bonded in a single-bond geometry to four equivalent Cu and one O atom. The Cu–O bond length is 2.06 Å. O is bonded in an octahedral geometry to six 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:
1205514
Report Number(s):
mp-31217
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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