U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaYb3GeS7 by Materials Project
Abstract
NaYb3GeS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded to six S2- atoms to form face-sharing NaS6 octahedra. There are a spread of Na–S bond distances ranging from 2.74–2.77 Å. There are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. In the third Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.23 Å) Ge–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to three Yb3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and four Yb3+ atoms. In the third S2-more »
- Publication Date:
- Other Number(s):
- mp-1190483
- 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; Ge-Na-S-Yb; NaYb3GeS7; crystal structure
- OSTI Identifier:
- 1676226
- DOI:
- https://doi.org/10.17188/1676226
Citation Formats
Materials Data on NaYb3GeS7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676226.
Materials Data on NaYb3GeS7 by Materials Project. United States. doi:https://doi.org/10.17188/1676226
2020.
"Materials Data on NaYb3GeS7 by Materials Project". United States. doi:https://doi.org/10.17188/1676226. https://www.osti.gov/servlets/purl/1676226. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1676226,
title = {Materials Data on NaYb3GeS7 by Materials Project},
abstractNote = {NaYb3GeS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded to six S2- atoms to form face-sharing NaS6 octahedra. There are a spread of Na–S bond distances ranging from 2.74–2.77 Å. There are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. In the third Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.81–3.34 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.23 Å) Ge–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to three Yb3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and four Yb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and four Yb3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and four Yb3+ atoms. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Yb3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Yb3+ and one Ge4+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Yb3+ and one Ge4+ atom.},
doi = {10.17188/1676226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}