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Title: Materials Data on Na3In by Materials Project

Abstract

Na3In is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent In atoms to form distorted NaNa8In4 cuboctahedra that share corners with twelve equivalent NaNa8In4 cuboctahedra, edges with eight equivalent NaNa8In4 cuboctahedra, edges with eight equivalent InNa12 cuboctahedra, faces with four equivalent InNa12 cuboctahedra, and faces with ten equivalent NaNa8In4 cuboctahedra. There are four shorter (3.46 Å) and four longer (3.50 Å) Na–Na bond lengths. All Na–In bond lengths are 3.50 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent In atoms. All Na–In bond lengths are 3.46 Å. In is bonded to twelve Na atoms to form InNa12 cuboctahedra that share corners with four equivalent InNa12 cuboctahedra, edges with eight equivalent InNa12 cuboctahedra, edges with sixteen equivalent NaNa8In4 cuboctahedra, faces with four equivalent InNa12 cuboctahedra, and faces with eight equivalent NaNa8In4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-864758
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; Na3In; In-Na
OSTI Identifier:
1310128
DOI:
https://doi.org/10.17188/1310128

Citation Formats

The Materials Project. Materials Data on Na3In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1310128.
The Materials Project. Materials Data on Na3In by Materials Project. United States. doi:https://doi.org/10.17188/1310128
The Materials Project. 2020. "Materials Data on Na3In by Materials Project". United States. doi:https://doi.org/10.17188/1310128. https://www.osti.gov/servlets/purl/1310128. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1310128,
title = {Materials Data on Na3In by Materials Project},
author = {The Materials Project},
abstractNote = {Na3In is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent In atoms to form distorted NaNa8In4 cuboctahedra that share corners with twelve equivalent NaNa8In4 cuboctahedra, edges with eight equivalent NaNa8In4 cuboctahedra, edges with eight equivalent InNa12 cuboctahedra, faces with four equivalent InNa12 cuboctahedra, and faces with ten equivalent NaNa8In4 cuboctahedra. There are four shorter (3.46 Å) and four longer (3.50 Å) Na–Na bond lengths. All Na–In bond lengths are 3.50 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent In atoms. All Na–In bond lengths are 3.46 Å. In is bonded to twelve Na atoms to form InNa12 cuboctahedra that share corners with four equivalent InNa12 cuboctahedra, edges with eight equivalent InNa12 cuboctahedra, edges with sixteen equivalent NaNa8In4 cuboctahedra, faces with four equivalent InNa12 cuboctahedra, and faces with eight equivalent NaNa8In4 cuboctahedra.},
doi = {10.17188/1310128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}