U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrGa2B2O7 by Materials Project
Abstract
SrGa2B2O7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.18 Å. Ga3+ is bonded to four O2- atoms to form distorted corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.86–1.91 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ga3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-556046
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SrGa2B2O7; B-Ga-O-Sr
- OSTI Identifier:
- 1269136
- DOI:
- https://doi.org/10.17188/1269136
Citation Formats
The Materials Project. Materials Data on SrGa2B2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269136.
The Materials Project. Materials Data on SrGa2B2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1269136
The Materials Project. 2020.
"Materials Data on SrGa2B2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1269136. https://www.osti.gov/servlets/purl/1269136. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269136,
title = {Materials Data on SrGa2B2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SrGa2B2O7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.18 Å. Ga3+ is bonded to four O2- atoms to form distorted corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.86–1.91 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ga3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one B3+ atom.},
doi = {10.17188/1269136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}