Materials Data on NaS by Materials Project

doi:10.17188/1207840

Title: Materials Data on NaS by Materials Project

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Abstract

NaS crystallizes in the hexagonal P-62m 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 six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.15 Å. In the second S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.14 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-409

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; NaS; Na-S

OSTI Identifier:: 1207840

DOI:: https://doi.org/10.17188/1207840

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                    The Materials Project. Materials Data on NaS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207840.

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                    The Materials Project. Materials Data on NaS by Materials Project.  United States.  doi:https://doi.org/10.17188/1207840

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                    The Materials Project. 2020.  
"Materials Data on NaS by Materials Project".  United States.  doi:https://doi.org/10.17188/1207840.  https://www.osti.gov/servlets/purl/1207840. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207840,

  title        = {Materials Data on NaS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaS crystallizes in the hexagonal P-62m 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 six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.15 Å. In the second S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.14 Å.},

  doi          = {10.17188/1207840},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207840

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