U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er(ClO2)3 by Materials Project
Abstract
Er(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Er(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a distorted octahedral geometry to six O atoms. All Er–O bond lengths are 2.25 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.
- Publication Date:
- Other Number(s):
- mp-1181421
- 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; Cl-Er-O; Er(ClO2)3; crystal structure
- OSTI Identifier:
- 1681238
- DOI:
- https://doi.org/10.17188/1681238
Citation Formats
Materials Data on Er(ClO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681238.
Materials Data on Er(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1681238
2020.
"Materials Data on Er(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1681238. https://www.osti.gov/servlets/purl/1681238. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1681238,
title = {Materials Data on Er(ClO2)3 by Materials Project},
abstractNote = {Er(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Er(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a distorted octahedral geometry to six O atoms. All Er–O bond lengths are 2.25 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.},
doi = {10.17188/1681238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}