U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2Ga2O5 by Materials Project
Abstract
Sr2Ga2O5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.08 Å. In the second Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent SrO7 pentagonal bipyramids, corners with six GaO4 tetrahedra, and edges with two GaO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.51–2.68 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent SrO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, and an edgeedge with one SrO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.85–1.91 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent SrO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, and an edgeedge with one SrO7 pentagonal bipyramid. There are a spread of Ga–O bond distancesmore »
- Publication Date:
- Other Number(s):
- mp-1020723
- 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; Ga-O-Sr; Sr2Ga2O5; crystal structure
- OSTI Identifier:
- 1351506
- DOI:
- https://doi.org/10.17188/1351506
Citation Formats
Materials Data on Sr2Ga2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351506.
Materials Data on Sr2Ga2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1351506
2020.
"Materials Data on Sr2Ga2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1351506. https://www.osti.gov/servlets/purl/1351506. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1351506,
title = {Materials Data on Sr2Ga2O5 by Materials Project},
abstractNote = {Sr2Ga2O5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.08 Å. In the second Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent SrO7 pentagonal bipyramids, corners with six GaO4 tetrahedra, and edges with two GaO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.51–2.68 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent SrO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, and an edgeedge with one SrO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.85–1.91 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent SrO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, and an edgeedge with one SrO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.85–1.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Sr2+ and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ga3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms.},
doi = {10.17188/1351506},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}