U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ge2S3Br2 by Materials Project
Abstract
Ge2S3Br2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ge2S3Br2 clusters. there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. All Ge–S bond lengths are 2.24 Å. The Ge–Br bond length is 2.31 Å. In the second Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. There are two shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. The Ge–Br bond length is 2.31 Å. In the third Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. There are two shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. The Ge–Br bond length is 2.31 Å. In the fourth Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. All Ge–S bond lengths are 2.24 Å. The Ge–Br bond length is 2.31 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the second S2-more »
- Publication Date:
- Other Number(s):
- mp-540792
- 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; Br-Ge-S; crystal structure; Ge2S3Br2
- OSTI Identifier:
- 1264776
- DOI:
- https://doi.org/10.17188/1264776
Citation Formats
Materials Data on Ge2S3Br2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264776.
Materials Data on Ge2S3Br2 by Materials Project. United States. doi:https://doi.org/10.17188/1264776
2020.
"Materials Data on Ge2S3Br2 by Materials Project". United States. doi:https://doi.org/10.17188/1264776. https://www.osti.gov/servlets/purl/1264776. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1264776,
title = {Materials Data on Ge2S3Br2 by Materials Project},
abstractNote = {Ge2S3Br2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ge2S3Br2 clusters. there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. All Ge–S bond lengths are 2.24 Å. The Ge–Br bond length is 2.31 Å. In the second Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. There are two shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. The Ge–Br bond length is 2.31 Å. In the third Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. There are two shorter (2.24 Å) and one longer (2.25 Å) Ge–S bond lengths. The Ge–Br bond length is 2.31 Å. In the fourth Ge4+ site, Ge4+ is bonded to three S2- and one Br1- atom to form corner-sharing GeS3Br tetrahedra. All Ge–S bond lengths are 2.24 Å. The Ge–Br bond length is 2.31 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.},
doi = {10.17188/1264776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}