U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(CuO2)3 by Materials Project
Abstract
Y(CuO2)3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Y(CuO2)3 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.16–2.33 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.15–2.32 Å. There are six inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.68 Å) and one longer (1.69 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.75 Å) Cu–O bond length. In the third Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) Cu–O bond length. In the fourth Cu3+ site, Cu3+ is bonded in a linear geometry to two O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-15029
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Y(CuO2)3; Cu-O-Y
- OSTI Identifier:
- 1319363
- DOI:
- https://doi.org/10.17188/1319363
Citation Formats
The Materials Project. Materials Data on Y(CuO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319363.
The Materials Project. Materials Data on Y(CuO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1319363
The Materials Project. 2020.
"Materials Data on Y(CuO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1319363. https://www.osti.gov/servlets/purl/1319363. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319363,
title = {Materials Data on Y(CuO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CuO2)3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Y(CuO2)3 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.16–2.33 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.15–2.32 Å. There are six inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.68 Å) and one longer (1.69 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.75 Å) Cu–O bond length. In the third Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) Cu–O bond length. In the fourth Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.75 Å) Cu–O bond length. In the fifth Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.68 Å) and one longer (1.71 Å) Cu–O bond length. In the sixth Cu3+ site, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) Cu–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one Cu3+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cu3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Cu3+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Cu3+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom.},
doi = {10.17188/1319363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}