U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaGaS2O by Materials Project
Abstract
LaGaS2O crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to eight S2- and two equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.03–3.31 Å. Both La–O bond lengths are 2.51 Å. Ga3+ is bonded to two S2- and two equivalent O2- atoms to form corner-sharing GaS2O2 tetrahedra. There are one shorter (2.23 Å) and one longer (2.27 Å) Ga–S bond lengths. Both Ga–O bond lengths are 1.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form distorted edge-sharing OLa2Ga2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-7018
- 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; LaGaS2O; Ga-La-O-S
- OSTI Identifier:
- 1285583
- DOI:
- https://doi.org/10.17188/1285583
Citation Formats
The Materials Project. Materials Data on LaGaS2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285583.
The Materials Project. Materials Data on LaGaS2O by Materials Project. United States. doi:https://doi.org/10.17188/1285583
The Materials Project. 2020.
"Materials Data on LaGaS2O by Materials Project". United States. doi:https://doi.org/10.17188/1285583. https://www.osti.gov/servlets/purl/1285583. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1285583,
title = {Materials Data on LaGaS2O by Materials Project},
author = {The Materials Project},
abstractNote = {LaGaS2O crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to eight S2- and two equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.03–3.31 Å. Both La–O bond lengths are 2.51 Å. Ga3+ is bonded to two S2- and two equivalent O2- atoms to form corner-sharing GaS2O2 tetrahedra. There are one shorter (2.23 Å) and one longer (2.27 Å) Ga–S bond lengths. Both Ga–O bond lengths are 1.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form distorted edge-sharing OLa2Ga2 tetrahedra.},
doi = {10.17188/1285583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}