U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y3BrO4 by Materials Project
Abstract
Y3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.32 Å. Both Y–Br bond lengths are 3.24 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.
- Publication Date:
- Other Number(s):
- mp-560029
- 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-Y; Y3BrO4; crystal structure
- OSTI Identifier:
- 1271227
- DOI:
- https://doi.org/10.17188/1271227
Citation Formats
Materials Data on Y3BrO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271227.
Materials Data on Y3BrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271227
2020.
"Materials Data on Y3BrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271227. https://www.osti.gov/servlets/purl/1271227. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1271227,
title = {Materials Data on Y3BrO4 by Materials Project},
abstractNote = {Y3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.32 Å. Both Y–Br bond lengths are 3.24 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.},
doi = {10.17188/1271227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}