U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3Y(BO3)3 by Materials Project
Abstract
Sr3Y(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.04 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.25 Å. In the second Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.32 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Y3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Y3+, and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-17025
- 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; B-O-Sr-Y; Sr3Y(BO3)3; crystal structure
- OSTI Identifier:
- 1192294
- DOI:
- https://doi.org/10.17188/1192294
Citation Formats
Materials Data on Sr3Y(BO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192294.
Materials Data on Sr3Y(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192294
2020.
"Materials Data on Sr3Y(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192294. https://www.osti.gov/servlets/purl/1192294. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1192294,
title = {Materials Data on Sr3Y(BO3)3 by Materials Project},
abstractNote = {Sr3Y(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.04 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.25 Å. In the second Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.32 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Y3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Y3+, and one B3+ atom.},
doi = {10.17188/1192294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}