U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Hg3(GeS4)2 by Materials Project
Abstract
Cs2Hg3(GeS4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–3.10 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.38 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1213712
- 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; crystal structure; Cs-Ge-Hg-S; Cs2Hg3(GeS4)2
- OSTI Identifier:
- 1738186
- DOI:
- https://doi.org/10.17188/1738186
Citation Formats
Materials Data on Cs2Hg3(GeS4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738186.
Materials Data on Cs2Hg3(GeS4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1738186
2020.
"Materials Data on Cs2Hg3(GeS4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1738186. https://www.osti.gov/servlets/purl/1738186. Pub date:Fri May 08 20:00:00 EDT 2020
@article{osti_1738186,
title = {Materials Data on Cs2Hg3(GeS4)2 by Materials Project},
abstractNote = {Cs2Hg3(GeS4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–3.10 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.38 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Hg2+, and one Ge4+ atom.},
doi = {10.17188/1738186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}