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Title: Materials Data on Na2SbAs by Materials Project

Abstract

Na2SbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are a spread of Na–Sb bond distances ranging from 3.19–3.23 Å. There are a spread of Na–As bond distances ranging from 3.23–3.31 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are one shorter (3.25 Å) and two longer (3.26 Å) Na–Sb bond lengths. There are a spread of Na–As bond distances ranging from 3.17–3.31 Å. Sb1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.68 Å) and one longer (2.71 Å) Sb–As bond lengths. As1- is bonded to six Na1+ and two equivalent Sb1- atoms to form a mixture of distorted edge and corner-sharing AsNa6Sb2 hexagonal bipyramids.

Publication Date:
Other Number(s):
mp-1221319
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; Na2SbAs; As-Na-Sb
OSTI Identifier:
1676933
DOI:
https://doi.org/10.17188/1676933

Citation Formats

The Materials Project. Materials Data on Na2SbAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676933.
The Materials Project. Materials Data on Na2SbAs by Materials Project. United States. doi:https://doi.org/10.17188/1676933
The Materials Project. 2020. "Materials Data on Na2SbAs by Materials Project". United States. doi:https://doi.org/10.17188/1676933. https://www.osti.gov/servlets/purl/1676933. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676933,
title = {Materials Data on Na2SbAs by Materials Project},
author = {The Materials Project},
abstractNote = {Na2SbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are a spread of Na–Sb bond distances ranging from 3.19–3.23 Å. There are a spread of Na–As bond distances ranging from 3.23–3.31 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are one shorter (3.25 Å) and two longer (3.26 Å) Na–Sb bond lengths. There are a spread of Na–As bond distances ranging from 3.17–3.31 Å. Sb1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.68 Å) and one longer (2.71 Å) Sb–As bond lengths. As1- is bonded to six Na1+ and two equivalent Sb1- atoms to form a mixture of distorted edge and corner-sharing AsNa6Sb2 hexagonal bipyramids.},
doi = {10.17188/1676933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}