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Title: Materials Data on Cu(BiO2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262213· OSTI ID:1262213

CuBi2O4 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. Bi3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BiO6 pentagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.21–2.69 Å. O2- is bonded in a 4-coordinate geometry to one Cu2+ and three equivalent Bi3+ 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:
1262213
Report Number(s):
mp-505042
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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