U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2CuO4 by Materials Project
Abstract
Er2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.38 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-753901
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Er-O; Er2CuO4; crystal structure
- OSTI Identifier:
- 1289176
- DOI:
- https://doi.org/10.17188/1289176
Citation Formats
Materials Data on Er2CuO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289176.
Materials Data on Er2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289176
2020.
"Materials Data on Er2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289176. https://www.osti.gov/servlets/purl/1289176. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1289176,
title = {Materials Data on Er2CuO4 by Materials Project},
abstractNote = {Er2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.38 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.},
doi = {10.17188/1289176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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