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

Title: Materials Data on Na2Cl by Materials Project

Abstract

Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.

Publication Date:
Other Number(s):
mp-1018810
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2Cl; Cl-Na
OSTI Identifier:
1350366
DOI:
10.17188/1350366

Citation Formats

The Materials Project. Materials Data on Na2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350366.
The Materials Project. Materials Data on Na2Cl by Materials Project. United States. doi:10.17188/1350366.
The Materials Project. 2020. "Materials Data on Na2Cl by Materials Project". United States. doi:10.17188/1350366. https://www.osti.gov/servlets/purl/1350366. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1350366,
title = {Materials Data on Na2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.},
doi = {10.17188/1350366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: