Materials Data on Na2Si2Se5 by Materials Project
Abstract
Na2Si2Se5 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 Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.11–3.54 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.03–3.58 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.23–2.32 Å. In the second Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.23–2.32 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Na1+ and one Si4+ atom to form distorted corner-sharing SeNa3Si tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Na1+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a water-like geometry to two equivalent Si4+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18562
- 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; Na2Si2Se5; Na-Se-Si
- OSTI Identifier:
- 1193168
- DOI:
- https://doi.org/10.17188/1193168
Citation Formats
The Materials Project. Materials Data on Na2Si2Se5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193168.
The Materials Project. Materials Data on Na2Si2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1193168
The Materials Project. 2020.
"Materials Data on Na2Si2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1193168. https://www.osti.gov/servlets/purl/1193168. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1193168,
title = {Materials Data on Na2Si2Se5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Si2Se5 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 Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.11–3.54 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.03–3.58 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.23–2.32 Å. In the second Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.23–2.32 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Na1+ and one Si4+ atom to form distorted corner-sharing SeNa3Si tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Na1+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to two Na1+ and two Si4+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two equivalent Si4+ atoms.},
doi = {10.17188/1193168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}