U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ge2Br7N3 by Materials Project
Abstract
Ge2N3Br7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ge–Br bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Ge–Br bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.55–3.83 Å. In the second N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.47–3.89 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.57–3.91 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the second Br1- site, Br1-more »
- Publication Date:
- Other Number(s):
- mp-1181355
- 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-N; Ge2Br7N3; crystal structure
- OSTI Identifier:
- 1745024
- DOI:
- https://doi.org/10.17188/1745024
Citation Formats
Materials Data on Ge2Br7N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745024.
Materials Data on Ge2Br7N3 by Materials Project. United States. doi:https://doi.org/10.17188/1745024
2020.
"Materials Data on Ge2Br7N3 by Materials Project". United States. doi:https://doi.org/10.17188/1745024. https://www.osti.gov/servlets/purl/1745024. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1745024,
title = {Materials Data on Ge2Br7N3 by Materials Project},
abstractNote = {Ge2N3Br7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ge–Br bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Ge–Br bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.55–3.83 Å. In the second N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.47–3.89 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.57–3.91 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and four N+0.33- atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.},
doi = {10.17188/1745024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}