U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Eu(CuO3)2 by Materials Project
Abstract
Ca2Eu(CuO3)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.77 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.89 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–1.92 Å. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–1.91 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Eu3+, and one Cu+2.50+ atom to form a mixture of distorted edge and corner-sharing OCa2Eu2Cu trigonal bipyramids. In themore »
- Publication Date:
- Other Number(s):
- mp-1228042
- 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; Ca-Cu-Eu-O; Ca2Eu(CuO3)2; crystal structure
- OSTI Identifier:
- 1694722
- DOI:
- https://doi.org/10.17188/1694722
Citation Formats
Materials Data on Ca2Eu(CuO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694722.
Materials Data on Ca2Eu(CuO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694722
2020.
"Materials Data on Ca2Eu(CuO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694722. https://www.osti.gov/servlets/purl/1694722. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694722,
title = {Materials Data on Ca2Eu(CuO3)2 by Materials Project},
abstractNote = {Ca2Eu(CuO3)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.77 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.89 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–1.92 Å. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.89–1.91 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Eu3+, and one Cu+2.50+ atom to form a mixture of distorted edge and corner-sharing OCa2Eu2Cu trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Eu3+, and one Cu+2.50+ atom to form a mixture of distorted edge and corner-sharing OCa2Eu2Cu trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two Cu+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Eu3+, and two Cu+2.50+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Ca2+, one Eu3+, and one Cu+2.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+, two equivalent Eu3+, and one Cu+2.50+ atom.},
doi = {10.17188/1694722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}