U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrMgB2O5 by Materials Project
Abstract
MgSrB2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.00 Å. Mg2+ is bonded to five O2- atoms to form edge-sharing MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.01–2.08 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Mg2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Mg2+, and one B3+ atom. In themore »
- Publication Date:
- Other Number(s):
- mp-1020634
- 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-Mg-O-Sr; SrMgB2O5; crystal structure
- OSTI Identifier:
- 1351489
- DOI:
- https://doi.org/10.17188/1351489
Citation Formats
Materials Data on SrMgB2O5 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1351489.
Materials Data on SrMgB2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1351489
2017.
"Materials Data on SrMgB2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1351489. https://www.osti.gov/servlets/purl/1351489. Pub date:Fri May 12 04:00:00 UTC 2017
@article{osti_1351489,
title = {Materials Data on SrMgB2O5 by Materials Project},
abstractNote = {MgSrB2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.00 Å. Mg2+ is bonded to five O2- atoms to form edge-sharing MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.01–2.08 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Mg2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Mg2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two B3+ atoms.},
doi = {10.17188/1351489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}