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Title: Materials Data on Na2In by Materials Project

Abstract

Na2In crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four In atoms. Both Na–Na bond lengths are 3.41 Å. There are two shorter (3.34 Å) and two longer (3.44 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six In atoms. There are a spread of Na–Na bond distances ranging from 3.33–3.58 Å. There are a spread of Na–In bond distances ranging from 3.32–3.61 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five In atoms. There are a spread of Na–Na bond distances ranging from 3.55–3.99 Å. There are a spread of Na–In bond distances ranging from 3.39–3.72 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four In atoms. There are a spread of Na–In bond distances ranging from 3.21–3.33 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three In atoms. There are a spread ofmore » Na–In bond distances ranging from 3.33–3.48 Å. There are two inequivalent In sites. In the first In site, In is bonded to nine Na and three In atoms to form a mixture of distorted face and corner-sharing InNa9In3 cuboctahedra. There are two shorter (3.12 Å) and one longer (3.21 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to eight Na and three In atoms. The In–In bond length is 3.19 Å.« less

Publication Date:
Other Number(s):
mp-31430
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; Na2In; In-Na
OSTI Identifier:
1205654
DOI:
https://doi.org/10.17188/1205654

Citation Formats

The Materials Project. Materials Data on Na2In by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205654.
The Materials Project. Materials Data on Na2In by Materials Project. United States. doi:https://doi.org/10.17188/1205654
The Materials Project. 2020. "Materials Data on Na2In by Materials Project". United States. doi:https://doi.org/10.17188/1205654. https://www.osti.gov/servlets/purl/1205654. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1205654,
title = {Materials Data on Na2In by Materials Project},
author = {The Materials Project},
abstractNote = {Na2In crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four In atoms. Both Na–Na bond lengths are 3.41 Å. There are two shorter (3.34 Å) and two longer (3.44 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six In atoms. There are a spread of Na–Na bond distances ranging from 3.33–3.58 Å. There are a spread of Na–In bond distances ranging from 3.32–3.61 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five In atoms. There are a spread of Na–Na bond distances ranging from 3.55–3.99 Å. There are a spread of Na–In bond distances ranging from 3.39–3.72 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four In atoms. There are a spread of Na–In bond distances ranging from 3.21–3.33 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three In atoms. There are a spread of Na–In bond distances ranging from 3.33–3.48 Å. There are two inequivalent In sites. In the first In site, In is bonded to nine Na and three In atoms to form a mixture of distorted face and corner-sharing InNa9In3 cuboctahedra. There are two shorter (3.12 Å) and one longer (3.21 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to eight Na and three In atoms. The In–In bond length is 3.19 Å.},
doi = {10.17188/1205654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}