U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu8GeSe6 by Materials Project
Abstract
Cu8GeSe6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are eight inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.44 Å) and one longer (2.46 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.44–2.55 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.44–2.46 Å. In the fourth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.43–2.77 Å. In the fifth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.43–2.78 Å. In the sixth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.38–3.30 Å. In the seventh Cu1+ site, Cu1+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225860
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cu8GeSe6; Cu-Ge-Se
- OSTI Identifier:
- 1665727
- DOI:
- https://doi.org/10.17188/1665727
Citation Formats
The Materials Project. Materials Data on Cu8GeSe6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665727.
The Materials Project. Materials Data on Cu8GeSe6 by Materials Project. United States. doi:https://doi.org/10.17188/1665727
The Materials Project. 2020.
"Materials Data on Cu8GeSe6 by Materials Project". United States. doi:https://doi.org/10.17188/1665727. https://www.osti.gov/servlets/purl/1665727. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1665727,
title = {Materials Data on Cu8GeSe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu8GeSe6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are eight inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.44 Å) and one longer (2.46 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.44–2.55 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.44–2.46 Å. In the fourth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.43–2.77 Å. In the fifth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.43–2.78 Å. In the sixth Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.38–3.30 Å. In the seventh Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.34–3.25 Å. In the eighth Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.37–3.23 Å. Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.40 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Cu1+ atoms. In the second Se2- site, Se2- is bonded in a tetrahedral geometry to three Cu1+ and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 8-coordinate geometry to eight Cu1+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Cu1+ and one Ge4+ atom. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Cu1+ and one Ge4+ atom. In the sixth Se2- site, Se2- is bonded in a 6-coordinate geometry to five Cu1+ and one Ge4+ atom.},
doi = {10.17188/1665727},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}