U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErCO4 by Materials Project
Abstract
ErCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Er–O bond distances ranging from 2.19–2.86 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Er atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Er and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom.
- Publication Date:
- Other Number(s):
- mp-1192227
- 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; C-Er-O; ErCO4; crystal structure
- OSTI Identifier:
- 1672618
- DOI:
- https://doi.org/10.17188/1672618
Citation Formats
Materials Data on ErCO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672618.
Materials Data on ErCO4 by Materials Project. United States. doi:https://doi.org/10.17188/1672618
2020.
"Materials Data on ErCO4 by Materials Project". United States. doi:https://doi.org/10.17188/1672618. https://www.osti.gov/servlets/purl/1672618. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1672618,
title = {Materials Data on ErCO4 by Materials Project},
abstractNote = {ErCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Er–O bond distances ranging from 2.19–2.86 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Er atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Er and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Er and one C atom.},
doi = {10.17188/1672618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}