U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr(BrO3)2 by Materials Project
Abstract
Sr(O3Br)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Br5+ atoms. Both O–Br bond lengths are 2.00 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Br5+ atom. The O–Br bond length is 1.67 Å. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Sr2+ and two equivalent Br5+ atoms. Both O–Br bond lengths are 2.11 Å. Br5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms.
- Publication Date:
- Other Number(s):
- mp-1095064
- 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; Br-O-Sr; Sr(BrO3)2; crystal structure
- OSTI Identifier:
- 1711545
- DOI:
- https://doi.org/10.17188/1711545
Citation Formats
Materials Data on Sr(BrO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711545.
Materials Data on Sr(BrO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711545
2020.
"Materials Data on Sr(BrO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711545. https://www.osti.gov/servlets/purl/1711545. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1711545,
title = {Materials Data on Sr(BrO3)2 by Materials Project},
abstractNote = {Sr(O3Br)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Br5+ atoms. Both O–Br bond lengths are 2.00 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Br5+ atom. The O–Br bond length is 1.67 Å. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Sr2+ and two equivalent Br5+ atoms. Both O–Br bond lengths are 2.11 Å. Br5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms.},
doi = {10.17188/1711545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}