U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2SO2 by Materials Project
Abstract
Tb2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Tb–S bond lengths are 2.90 Å. There are three shorter (2.29 Å) and one longer (2.31 Å) Tb–O bond lengths. S2- is bonded to six equivalent Tb3+ atoms to form distorted STb6 octahedra that share corners with twelve equivalent OTb4 tetrahedra, edges with six equivalent STb6 octahedra, and edges with six equivalent OTb4 tetrahedra. O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with six equivalent STb6 octahedra, corners with six equivalent OTb4 tetrahedra, edges with three equivalent STb6 octahedra, and edges with three equivalent OTb4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.
- Publication Date:
- Other Number(s):
- mp-12668
- 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; crystal structure; O-S-Tb; Tb2SO2
- OSTI Identifier:
- 1183326
- DOI:
- https://doi.org/10.17188/1183326
Citation Formats
Materials Data on Tb2SO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1183326.
Materials Data on Tb2SO2 by Materials Project. United States. doi:https://doi.org/10.17188/1183326
2020.
"Materials Data on Tb2SO2 by Materials Project". United States. doi:https://doi.org/10.17188/1183326. https://www.osti.gov/servlets/purl/1183326. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1183326,
title = {Materials Data on Tb2SO2 by Materials Project},
abstractNote = {Tb2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Tb–S bond lengths are 2.90 Å. There are three shorter (2.29 Å) and one longer (2.31 Å) Tb–O bond lengths. S2- is bonded to six equivalent Tb3+ atoms to form distorted STb6 octahedra that share corners with twelve equivalent OTb4 tetrahedra, edges with six equivalent STb6 octahedra, and edges with six equivalent OTb4 tetrahedra. O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with six equivalent STb6 octahedra, corners with six equivalent OTb4 tetrahedra, edges with three equivalent STb6 octahedra, and edges with three equivalent OTb4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.},
doi = {10.17188/1183326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}