DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaSi34 by Materials Project

Abstract

Na(Si)34 is beta beryllia-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four sodium molecules and one Si framework. In the Si framework, there are six inequivalent Si sites. In the first Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Si–Si bond lengths. In the second Si site, Si is bonded to four equivalent Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.35 Å. In the third Si site, Si is bonded to four equivalent Si atoms to form corner-sharing SiSi4 tetrahedra. In the fourth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are three shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. The Si–Si bond length is 2.40 Å. In the sixth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1220929
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; NaSi34; Na-Si
OSTI Identifier:
1706029
DOI:
https://doi.org/10.17188/1706029

Citation Formats

The Materials Project. Materials Data on NaSi34 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706029.
The Materials Project. Materials Data on NaSi34 by Materials Project. United States. doi:https://doi.org/10.17188/1706029
The Materials Project. 2020. "Materials Data on NaSi34 by Materials Project". United States. doi:https://doi.org/10.17188/1706029. https://www.osti.gov/servlets/purl/1706029. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1706029,
title = {Materials Data on NaSi34 by Materials Project},
author = {The Materials Project},
abstractNote = {Na(Si)34 is beta beryllia-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four sodium molecules and one Si framework. In the Si framework, there are six inequivalent Si sites. In the first Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Si–Si bond lengths. In the second Si site, Si is bonded to four equivalent Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.35 Å. In the third Si site, Si is bonded to four equivalent Si atoms to form corner-sharing SiSi4 tetrahedra. In the fourth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are three shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. The Si–Si bond length is 2.40 Å. In the sixth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra.},
doi = {10.17188/1706029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}