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Title: Materials Data on Na2Sr3As4 by Materials Project

Abstract

Na2Sr3As4 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 to five As2- atoms to form distorted corner-sharing NaAs5 square pyramids. There are a spread of Na–As bond distances ranging from 2.96–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Na–As bond distances ranging from 3.08–3.25 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.23–3.78 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.24–3.79 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Sr–As bond distances ranging from 3.08–3.24 Å. There are four inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one As2- atom. The As–As bond length is 2.54more » Å. In the second As2- site, As2- is bonded in a 9-coordinate geometry to two Na1+, six Sr2+, and one As2- atom. The As–As bond length is 2.61 Å. In the third As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom. The As–As bond length is 2.57 Å. In the fourth As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom.« less

Publication Date:
Other Number(s):
mp-1221310
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; Na2Sr3As4; As-Na-Sr
OSTI Identifier:
1651673
DOI:
https://doi.org/10.17188/1651673

Citation Formats

The Materials Project. Materials Data on Na2Sr3As4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651673.
The Materials Project. Materials Data on Na2Sr3As4 by Materials Project. United States. doi:https://doi.org/10.17188/1651673
The Materials Project. 2020. "Materials Data on Na2Sr3As4 by Materials Project". United States. doi:https://doi.org/10.17188/1651673. https://www.osti.gov/servlets/purl/1651673. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1651673,
title = {Materials Data on Na2Sr3As4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Sr3As4 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 to five As2- atoms to form distorted corner-sharing NaAs5 square pyramids. There are a spread of Na–As bond distances ranging from 2.96–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Na–As bond distances ranging from 3.08–3.25 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.23–3.78 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.24–3.79 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Sr–As bond distances ranging from 3.08–3.24 Å. There are four inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one As2- atom. The As–As bond length is 2.54 Å. In the second As2- site, As2- is bonded in a 9-coordinate geometry to two Na1+, six Sr2+, and one As2- atom. The As–As bond length is 2.61 Å. In the third As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom. The As–As bond length is 2.57 Å. In the fourth As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom.},
doi = {10.17188/1651673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}