U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2SeO6 by Materials Project
Abstract
Bi2SeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.89 Å. Se6+ is bonded to six O2- atoms to form corner-sharing SeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.75 Å) and four longer (1.97 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ and two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi3+ and one Se6+ atom. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-754798
- 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; Bi-O-Se; Bi2SeO6; crystal structure
- OSTI Identifier:
- 1289579
- DOI:
- https://doi.org/10.17188/1289579
Citation Formats
Materials Data on Bi2SeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289579.
Materials Data on Bi2SeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1289579
2020.
"Materials Data on Bi2SeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1289579. https://www.osti.gov/servlets/purl/1289579. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1289579,
title = {Materials Data on Bi2SeO6 by Materials Project},
abstractNote = {Bi2SeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.89 Å. Se6+ is bonded to six O2- atoms to form corner-sharing SeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.75 Å) and four longer (1.97 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ and two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi3+ and one Se6+ atom. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.},
doi = {10.17188/1289579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}