U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2La2Sb2S9 by Materials Project
Abstract
K2La2Sb2S9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted face and corner-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.22–3.34 Å. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.05 Å. Sb5+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–3.17 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, two equivalent La3+, and one Sb5+ atom to form distorted SK2La2Sb square pyramids that share edges with two equivalent SK2Sb4 octahedra and edges with two equivalent SK2La2Sb square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent La3+, one Sb5+, and one S2- atom. The S–S bond length is 2.11 Å. In the third S2- site, S2- is bonded to two equivalent K1+ and four equivalent Sb5+ atoms to form SK2Sb4 octahedra that share edges with two equivalent SK2Sb4 octahedra and edges withmore »
- Publication Date:
- Other Number(s):
- mp-1223734
- 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; K-La-S-Sb; K2La2Sb2S9; crystal structure
- OSTI Identifier:
- 1691392
- DOI:
- https://doi.org/10.17188/1691392
Citation Formats
Materials Data on K2La2Sb2S9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1691392.
Materials Data on K2La2Sb2S9 by Materials Project. United States. doi:https://doi.org/10.17188/1691392
2020.
"Materials Data on K2La2Sb2S9 by Materials Project". United States. doi:https://doi.org/10.17188/1691392. https://www.osti.gov/servlets/purl/1691392. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1691392,
title = {Materials Data on K2La2Sb2S9 by Materials Project},
abstractNote = {K2La2Sb2S9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted face and corner-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.22–3.34 Å. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.05 Å. Sb5+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–3.17 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, two equivalent La3+, and one Sb5+ atom to form distorted SK2La2Sb square pyramids that share edges with two equivalent SK2Sb4 octahedra and edges with two equivalent SK2La2Sb square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent La3+, one Sb5+, and one S2- atom. The S–S bond length is 2.11 Å. In the third S2- site, S2- is bonded to two equivalent K1+ and four equivalent Sb5+ atoms to form SK2Sb4 octahedra that share edges with two equivalent SK2Sb4 octahedra and edges with four equivalent SK2La2Sb square pyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent La3+, and one S2- atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two equivalent Sb5+ atoms.},
doi = {10.17188/1691392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}