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Title: Materials Data on Na6ZnSn2 by Materials Project

Abstract

Na6ZnSn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a distorted trigonal planar geometry to two equivalent Na and three equivalent Sn atoms. There are one shorter (3.28 Å) and one longer (3.49 Å) Na–Na bond lengths. There are one shorter (3.26 Å) and two longer (3.30 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to one Na and four equivalent Sn atoms. The Na–Na bond length is 3.25 Å. There are a spread of Na–Sn bond distances ranging from 3.18–3.74 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to five Na, three equivalent Zn, and three equivalent Sn atoms. Both Na–Na bond lengths are 3.22 Å. There are one shorter (3.13 Å) and two longer (3.47 Å) Na–Zn bond lengths. There are two shorter (3.34 Å) and one longer (3.55 Å) Na–Sn bond lengths. Zn is bonded in a 4-coordinate geometry to six equivalent Na and two equivalent Sn atoms. Both Zn–Sn bond lengths are 2.61 Å. Sn is bonded in a 11-coordinate geometry to ten Na andmore » one Zn atom.« less

Authors:
Publication Date:
Other Number(s):
mp-568866
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; Na6ZnSn2; Na-Sn-Zn
OSTI Identifier:
1274783
DOI:
https://doi.org/10.17188/1274783

Citation Formats

The Materials Project. Materials Data on Na6ZnSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274783.
The Materials Project. Materials Data on Na6ZnSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1274783
The Materials Project. 2020. "Materials Data on Na6ZnSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1274783. https://www.osti.gov/servlets/purl/1274783. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274783,
title = {Materials Data on Na6ZnSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na6ZnSn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a distorted trigonal planar geometry to two equivalent Na and three equivalent Sn atoms. There are one shorter (3.28 Å) and one longer (3.49 Å) Na–Na bond lengths. There are one shorter (3.26 Å) and two longer (3.30 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to one Na and four equivalent Sn atoms. The Na–Na bond length is 3.25 Å. There are a spread of Na–Sn bond distances ranging from 3.18–3.74 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to five Na, three equivalent Zn, and three equivalent Sn atoms. Both Na–Na bond lengths are 3.22 Å. There are one shorter (3.13 Å) and two longer (3.47 Å) Na–Zn bond lengths. There are two shorter (3.34 Å) and one longer (3.55 Å) Na–Sn bond lengths. Zn is bonded in a 4-coordinate geometry to six equivalent Na and two equivalent Sn atoms. Both Zn–Sn bond lengths are 2.61 Å. Sn is bonded in a 11-coordinate geometry to ten Na and one Zn atom.},
doi = {10.17188/1274783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}