U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Ge2S5 by Materials Project
Abstract
Na2Ge2S5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.98–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.93–3.44 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.15–2.27 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.17–2.27 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Na1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18568
- 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; Na2Ge2S5; Ge-Na-S
- OSTI Identifier:
- 1193171
- DOI:
- https://doi.org/10.17188/1193171
Citation Formats
The Materials Project. Materials Data on Na2Ge2S5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193171.
The Materials Project. Materials Data on Na2Ge2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1193171
The Materials Project. 2020.
"Materials Data on Na2Ge2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1193171. https://www.osti.gov/servlets/purl/1193171. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193171,
title = {Materials Data on Na2Ge2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Ge2S5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.98–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.93–3.44 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.15–2.27 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.17–2.27 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Na1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the fourth S2- site, S2- is bonded to four Na1+ and one Ge4+ atom to form distorted SNa4Ge square pyramids that share corners with six equivalent SNa3Ge trigonal pyramids and edges with two equivalent SNa4Ge square pyramids. In the fifth S2- site, S2- is bonded to three Na1+ and one Ge4+ atom to form distorted SNa3Ge trigonal pyramids that share corners with six equivalent SNa4Ge square pyramids and corners with two equivalent SNa3Ge trigonal pyramids.},
doi = {10.17188/1193171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}