U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2BeGa2O7 by Materials Project
Abstract
BeLa2Ga2O7 is Esseneite-like structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Be–O bond lengths are 1.68 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–3.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with two equivalent BeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent La3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OLa3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent La3+, and one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-1211518
- 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; Be-Ga-La-O; La2BeGa2O7; crystal structure
- OSTI Identifier:
- 1707002
- DOI:
- https://doi.org/10.17188/1707002
Citation Formats
Materials Data on La2BeGa2O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1707002.
Materials Data on La2BeGa2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1707002
2019.
"Materials Data on La2BeGa2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1707002. https://www.osti.gov/servlets/purl/1707002. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1707002,
title = {Materials Data on La2BeGa2O7 by Materials Project},
abstractNote = {BeLa2Ga2O7 is Esseneite-like structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Be–O bond lengths are 1.68 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–3.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with two equivalent BeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent La3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OLa3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent La3+, and one Ga3+ atom.},
doi = {10.17188/1707002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}