U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr(BO2)2 by Materials Project
Abstract
SrB2O4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.64 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent BO4 tetrahedra and edges with six equivalent BO4 tetrahedra. There are six shorter (2.76 Å) and six longer (3.00 Å) Sr–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent SrO12 cuboctahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one SrO12 cuboctahedra. There are a spread of B–O bond distances ranging from 1.48–1.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two equivalent B3+ atoms.
- Publication Date:
- Other Number(s):
- mp-8878
- 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; Sr(BO2)2; crystal structure
- OSTI Identifier:
- 1312801
- DOI:
- https://doi.org/10.17188/1312801
Citation Formats
Materials Data on Sr(BO2)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1312801.
Materials Data on Sr(BO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1312801
2017.
"Materials Data on Sr(BO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1312801. https://www.osti.gov/servlets/purl/1312801. Pub date:Sat May 20 00:00:00 EDT 2017
@article{osti_1312801,
title = {Materials Data on Sr(BO2)2 by Materials Project},
abstractNote = {SrB2O4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.64 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent BO4 tetrahedra and edges with six equivalent BO4 tetrahedra. There are six shorter (2.76 Å) and six longer (3.00 Å) Sr–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent SrO12 cuboctahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one SrO12 cuboctahedra. There are a spread of B–O bond distances ranging from 1.48–1.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two equivalent B3+ atoms.},
doi = {10.17188/1312801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}