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Title: Materials Data on Na3Cl2 by Materials Project

Abstract

Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 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 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.

Authors:
Publication Date:
Other Number(s):
mp-1095060
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; Na3Cl2; Cl-Na
OSTI Identifier:
1681280
DOI:
https://doi.org/10.17188/1681280

Citation Formats

The Materials Project. Materials Data on Na3Cl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681280.
The Materials Project. Materials Data on Na3Cl2 by Materials Project. United States. doi:https://doi.org/10.17188/1681280
The Materials Project. 2020. "Materials Data on Na3Cl2 by Materials Project". United States. doi:https://doi.org/10.17188/1681280. https://www.osti.gov/servlets/purl/1681280. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681280,
title = {Materials Data on Na3Cl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 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 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.},
doi = {10.17188/1681280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}