U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2Ga4O9 by Materials Project
Abstract
La2Ga4O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.10 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent GaO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–60°. There is one shorter (1.82 Å) and three longer (1.87 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planarmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-771697
- 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; La2Ga4O9; Ga-La-O
- OSTI Identifier:
- 1300771
- DOI:
- https://doi.org/10.17188/1300771
Citation Formats
The Materials Project. Materials Data on La2Ga4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300771.
The Materials Project. Materials Data on La2Ga4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1300771
The Materials Project. 2020.
"Materials Data on La2Ga4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1300771. https://www.osti.gov/servlets/purl/1300771. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300771,
title = {Materials Data on La2Ga4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Ga4O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.10 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent GaO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–60°. There is one shorter (1.82 Å) and three longer (1.87 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ga3+ atoms. In the fourth 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 trigonal pyramids.},
doi = {10.17188/1300771},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}