U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd2SeO2 by Materials Project
Abstract
Gd2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Gd–Se bond lengths are 3.02 Å. There are one shorter (2.32 Å) and three longer (2.33 Å) Gd–O bond lengths. Se2- is bonded to six equivalent Gd3+ atoms to form distorted SeGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent SeGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent SeGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent SeGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–48°.
- Publication Date:
- Other Number(s):
- mp-13973
- 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; Gd-O-Se; Gd2SeO2; crystal structure
- OSTI Identifier:
- 1189850
- DOI:
- https://doi.org/10.17188/1189850
Citation Formats
Materials Data on Gd2SeO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189850.
Materials Data on Gd2SeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1189850
2020.
"Materials Data on Gd2SeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1189850. https://www.osti.gov/servlets/purl/1189850. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1189850,
title = {Materials Data on Gd2SeO2 by Materials Project},
abstractNote = {Gd2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Gd–Se bond lengths are 3.02 Å. There are one shorter (2.32 Å) and three longer (2.33 Å) Gd–O bond lengths. Se2- is bonded to six equivalent Gd3+ atoms to form distorted SeGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent SeGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent SeGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent SeGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–48°.},
doi = {10.17188/1189850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}