U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2SeO2 by Materials Project
Abstract
Er2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Er–Se bond lengths are 2.96 Å. All Er–O bond lengths are 2.27 Å. Se2- is bonded to six equivalent Er3+ atoms to form distorted SeEr6 octahedra that share corners with twelve equivalent OEr4 tetrahedra, edges with six equivalent SeEr6 octahedra, and edges with six equivalent OEr4 tetrahedra. O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with six equivalent SeEr6 octahedra, corners with six equivalent OEr4 tetrahedra, edges with three equivalent SeEr6 octahedra, and edges with three equivalent OEr4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–48°.
- Publication Date:
- Other Number(s):
- mp-13975
- 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; Er-O-Se; Er2SeO2; crystal structure
- OSTI Identifier:
- 1189852
- DOI:
- https://doi.org/10.17188/1189852
Citation Formats
Materials Data on Er2SeO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189852.
Materials Data on Er2SeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1189852
2020.
"Materials Data on Er2SeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1189852. https://www.osti.gov/servlets/purl/1189852. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189852,
title = {Materials Data on Er2SeO2 by Materials Project},
abstractNote = {Er2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Er–Se bond lengths are 2.96 Å. All Er–O bond lengths are 2.27 Å. Se2- is bonded to six equivalent Er3+ atoms to form distorted SeEr6 octahedra that share corners with twelve equivalent OEr4 tetrahedra, edges with six equivalent SeEr6 octahedra, and edges with six equivalent OEr4 tetrahedra. O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with six equivalent SeEr6 octahedra, corners with six equivalent OEr4 tetrahedra, edges with three equivalent SeEr6 octahedra, and edges with three equivalent OEr4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–48°.},
doi = {10.17188/1189852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}