Materials Data on La3CuSnS7 by Materials Project
Abstract
La3CuSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.35 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.26 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.42 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-510566
- 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; La3CuSnS7; Cu-La-S-Sn
- OSTI Identifier:
- 1263004
- DOI:
- https://doi.org/10.17188/1263004
Citation Formats
The Materials Project. Materials Data on La3CuSnS7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263004.
The Materials Project. Materials Data on La3CuSnS7 by Materials Project. United States. doi:https://doi.org/10.17188/1263004
The Materials Project. 2020.
"Materials Data on La3CuSnS7 by Materials Project". United States. doi:https://doi.org/10.17188/1263004. https://www.osti.gov/servlets/purl/1263004. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1263004,
title = {Materials Data on La3CuSnS7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3CuSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.35 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.26 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.38 Å) and three longer (2.42 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Sn4+ atom.},
doi = {10.17188/1263004},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}