U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2S2O by Materials Project
Abstract
La2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.22 Å. There are two shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five S2- and one O2- atom to form a mixture of distorted corner and edge-sharing LaS5O octahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of La–S bond distances ranging from 2.88–2.93 Å. The La–O bond length is 2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-754794
- 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; La-O-S; La2S2O; crystal structure
- OSTI Identifier:
- 1289577
- DOI:
- https://doi.org/10.17188/1289577
Citation Formats
Materials Data on La2S2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289577.
Materials Data on La2S2O by Materials Project. United States. doi:https://doi.org/10.17188/1289577
2020.
"Materials Data on La2S2O by Materials Project". United States. doi:https://doi.org/10.17188/1289577. https://www.osti.gov/servlets/purl/1289577. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1289577,
title = {Materials Data on La2S2O by Materials Project},
abstractNote = {La2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.22 Å. There are two shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five S2- and one O2- atom to form a mixture of distorted corner and edge-sharing LaS5O octahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of La–S bond distances ranging from 2.88–2.93 Å. The La–O bond length is 2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.},
doi = {10.17188/1289577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}