Materials Data on Na2Sr3As4 by Materials Project

doi:10.17188/1651673

Title: Materials Data on Na2Sr3As4 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-1221310

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; Na2Sr3As4; As-Na-Sr

OSTI Identifier:: 1651673

DOI:: https://doi.org/10.17188/1651673

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                    The Materials Project. Materials Data on Na2Sr3As4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651673.

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                    The Materials Project. Materials Data on Na2Sr3As4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651673

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1651673

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