Materials Data on Y(CuO2)3 by Materials Project
(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.
- 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:
- 1323186
- Report Number(s):
- mvc-878
- Country of Publication:
- United States
- Language:
- English
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