U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrSbS3 by Materials Project
Abstract
CrSbS3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.37–2.48 Å. Sb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.55–3.17 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Cr3+ and three equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Cr3+ and one Sb3+ atom.
- Publication Date:
- Other Number(s):
- mp-9130
- 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; Cr-S-Sb; CrSbS3; crystal structure
- OSTI Identifier:
- 1312997
- DOI:
- https://doi.org/10.17188/1312997
Citation Formats
Materials Data on CrSbS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312997.
Materials Data on CrSbS3 by Materials Project. United States. doi:https://doi.org/10.17188/1312997
2020.
"Materials Data on CrSbS3 by Materials Project". United States. doi:https://doi.org/10.17188/1312997. https://www.osti.gov/servlets/purl/1312997. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1312997,
title = {Materials Data on CrSbS3 by Materials Project},
abstractNote = {CrSbS3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.37–2.48 Å. Sb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.55–3.17 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Cr3+ and three equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Cr3+ and one Sb3+ atom.},
doi = {10.17188/1312997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}