U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho3CuSnS7 by Materials Project
Abstract
Ho3CuSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.14 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.23 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.41 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 distorted rectangular see-saw-like geometry to three equivalent Ho3+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ho3+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Ho3+ and one Sn4+ atom.
- Publication Date:
- Other Number(s):
- mp-554553
- 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; Cu-Ho-S-Sn; Ho3CuSnS7; crystal structure
- OSTI Identifier:
- 1267950
- DOI:
- https://doi.org/10.17188/1267950
Citation Formats
Materials Data on Ho3CuSnS7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267950.
Materials Data on Ho3CuSnS7 by Materials Project. United States. doi:https://doi.org/10.17188/1267950
2020.
"Materials Data on Ho3CuSnS7 by Materials Project". United States. doi:https://doi.org/10.17188/1267950. https://www.osti.gov/servlets/purl/1267950. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1267950,
title = {Materials Data on Ho3CuSnS7 by Materials Project},
abstractNote = {Ho3CuSnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.14 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.23 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.41 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 distorted rectangular see-saw-like geometry to three equivalent Ho3+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ho3+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Ho3+ and one Sn4+ atom.},
doi = {10.17188/1267950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}