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

Title: Materials Data on Na2NiSn by Materials Project

Abstract

Na2NiSn crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na, four equivalent Ni, and four equivalent Sn atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, and faces with ten NaNa4Ni4Sn4 cuboctahedra. All Na–Na bond lengths are 2.82 Å. All Na–Ni bond lengths are 3.34 Å. All Na–Sn bond lengths are 3.16 Å. In the second Na site, Na is bonded to four equivalent Na, four equivalent Ni, and four equivalent Sn atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, and faces with ten NaNa4Ni4Sn4 cuboctahedra. All Na–Ni bond lengths are 3.16 Å. All Na–Sn bond lengths are 3.34 Å. Ni is bonded to eight Na and four equivalent Sn atomsmore » to form NiNa8Sn4 cuboctahedra that share corners with twelve equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, edges with sixteen NaNa4Ni4Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, faces with six equivalent NiNa8Sn4 cuboctahedra, and faces with eight NaNa4Ni4Sn4 cuboctahedra. All Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight Na and four equivalent Ni atoms to form SnNa8Ni4 cuboctahedra that share corners with twelve equivalent SnNa8Ni4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with sixteen NaNa4Ni4Sn4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with six equivalent SnNa8Ni4 cuboctahedra, and faces with eight NaNa4Ni4Sn4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1221338
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; Na2NiSn; Na-Ni-Sn
OSTI Identifier:
1651674
DOI:
https://doi.org/10.17188/1651674

Citation Formats

The Materials Project. Materials Data on Na2NiSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651674.
The Materials Project. Materials Data on Na2NiSn by Materials Project. United States. doi:https://doi.org/10.17188/1651674
The Materials Project. 2020. "Materials Data on Na2NiSn by Materials Project". United States. doi:https://doi.org/10.17188/1651674. https://www.osti.gov/servlets/purl/1651674. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1651674,
title = {Materials Data on Na2NiSn by Materials Project},
author = {The Materials Project},
abstractNote = {Na2NiSn crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na, four equivalent Ni, and four equivalent Sn atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, and faces with ten NaNa4Ni4Sn4 cuboctahedra. All Na–Na bond lengths are 2.82 Å. All Na–Ni bond lengths are 3.34 Å. All Na–Sn bond lengths are 3.16 Å. In the second Na site, Na is bonded to four equivalent Na, four equivalent Ni, and four equivalent Sn atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NaNa4Ni4Sn4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, and faces with ten NaNa4Ni4Sn4 cuboctahedra. All Na–Ni bond lengths are 3.16 Å. All Na–Sn bond lengths are 3.34 Å. Ni is bonded to eight Na and four equivalent Sn atoms to form NiNa8Sn4 cuboctahedra that share corners with twelve equivalent NiNa8Sn4 cuboctahedra, edges with eight equivalent SnNa8Ni4 cuboctahedra, edges with sixteen NaNa4Ni4Sn4 cuboctahedra, faces with four equivalent SnNa8Ni4 cuboctahedra, faces with six equivalent NiNa8Sn4 cuboctahedra, and faces with eight NaNa4Ni4Sn4 cuboctahedra. All Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight Na and four equivalent Ni atoms to form SnNa8Ni4 cuboctahedra that share corners with twelve equivalent SnNa8Ni4 cuboctahedra, edges with eight equivalent NiNa8Sn4 cuboctahedra, edges with sixteen NaNa4Ni4Sn4 cuboctahedra, faces with four equivalent NiNa8Sn4 cuboctahedra, faces with six equivalent SnNa8Ni4 cuboctahedra, and faces with eight NaNa4Ni4Sn4 cuboctahedra.},
doi = {10.17188/1651674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}