Materials Data on Li5GaO2 by Materials Project
Abstract
Li5GaO2 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted bent 120 degrees geometry to one Ga and two equivalent O atoms. The Li–Ga bond length is 2.62 Å. There is one shorter (1.89 Å) and one longer (1.95 Å) Li–O bond length. In the second Li site, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.87 Å. In the third Li site, Li is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Li–O bond lengths are 1.86 Å. In the fourth Li site, Li is bonded in a distorted bent 150 degrees geometry to three equivalent Ga and two equivalent O atoms. There are one shorter (2.76 Å) and two longer (3.19 Å) Li–Ga bond lengths. Both Li–O bond lengths are 2.04 Å. Ga is bonded in a 7-coordinate geometry to five Li and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.36 Å. O is bonded to five Li atoms to form corner-sharing OLi5 trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558082
- 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; Li5GaO2; Ga-Li-O
- OSTI Identifier:
- 1270147
- DOI:
- https://doi.org/10.17188/1270147
Citation Formats
The Materials Project. Materials Data on Li5GaO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270147.
The Materials Project. Materials Data on Li5GaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1270147
The Materials Project. 2020.
"Materials Data on Li5GaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1270147. https://www.osti.gov/servlets/purl/1270147. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1270147,
title = {Materials Data on Li5GaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5GaO2 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted bent 120 degrees geometry to one Ga and two equivalent O atoms. The Li–Ga bond length is 2.62 Å. There is one shorter (1.89 Å) and one longer (1.95 Å) Li–O bond length. In the second Li site, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.87 Å. In the third Li site, Li is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Li–O bond lengths are 1.86 Å. In the fourth Li site, Li is bonded in a distorted bent 150 degrees geometry to three equivalent Ga and two equivalent O atoms. There are one shorter (2.76 Å) and two longer (3.19 Å) Li–Ga bond lengths. Both Li–O bond lengths are 2.04 Å. Ga is bonded in a 7-coordinate geometry to five Li and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.36 Å. O is bonded to five Li atoms to form corner-sharing OLi5 trigonal bipyramids.},
doi = {10.17188/1270147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}