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Title: Materials Data on Al(CuO2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1318126· OSTI ID:1318126

Al(CuO2)2CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one Al(CuO2)2 sheet oriented in the (0, 0, 1) direction. In the Al(CuO2)2 sheet, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.74 Å) and one longer (1.78 Å) Cu–O bond length. Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There is two shorter (1.89 Å) and four longer (1.90 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu3+ and one Al3+ atom.

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:
1318126
Report Number(s):
mvc-11181
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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