U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu3SbS3 by Materials Project
Abstract
Cu3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.29 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.27–2.32 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.31 Å. In the fifth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.27–2.30 Å. In the sixth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.32 Å. There are two inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-554272
- 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; Cu3SbS3; Cu-S-Sb
- OSTI Identifier:
- 1267828
- DOI:
- https://doi.org/10.17188/1267828
Citation Formats
The Materials Project. Materials Data on Cu3SbS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267828.
The Materials Project. Materials Data on Cu3SbS3 by Materials Project. United States. doi:https://doi.org/10.17188/1267828
The Materials Project. 2020.
"Materials Data on Cu3SbS3 by Materials Project". United States. doi:https://doi.org/10.17188/1267828. https://www.osti.gov/servlets/purl/1267828. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1267828,
title = {Materials Data on Cu3SbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.29 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.27–2.32 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.31 Å. In the fifth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.27–2.30 Å. In the sixth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.32 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.49–2.52 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.53 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Cu1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Cu1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Cu1+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Cu1+ and one Sb3+ atom. In the fifth S2- site, S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb trigonal pyramids. In the sixth S2- site, S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb tetrahedra.},
doi = {10.17188/1267828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}