U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu8Ge5C4(S2N)8 by Materials Project
Abstract
Cu8Ge5S16(CN2)4 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional and consists of eight cyanamide molecules and one Cu8Ge5S16 framework. In the Cu8Ge5S16 framework, Cu+1.50+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.23 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. In the third Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ge–S bond lengths are 2.26 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ge4+ atoms. In the fourth S2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-608239
- 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; Cu8Ge5C4(S2N)8; C-Cu-Ge-N-S
- OSTI Identifier:
- 1277610
- DOI:
- https://doi.org/10.17188/1277610
Citation Formats
The Materials Project. Materials Data on Cu8Ge5C4(S2N)8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277610.
The Materials Project. Materials Data on Cu8Ge5C4(S2N)8 by Materials Project. United States. doi:https://doi.org/10.17188/1277610
The Materials Project. 2020.
"Materials Data on Cu8Ge5C4(S2N)8 by Materials Project". United States. doi:https://doi.org/10.17188/1277610. https://www.osti.gov/servlets/purl/1277610. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1277610,
title = {Materials Data on Cu8Ge5C4(S2N)8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu8Ge5S16(CN2)4 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional and consists of eight cyanamide molecules and one Cu8Ge5S16 framework. In the Cu8Ge5S16 framework, Cu+1.50+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.23 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. In the third Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ge–S bond lengths are 2.26 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ge4+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ge4+ atoms.},
doi = {10.17188/1277610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}