Materials Data on NaS2 by Materials Project

doi:10.17188/1188640

Title: Materials Data on NaS2 by Materials Project

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Abstract

NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-12180

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; NaS2; Na-S

OSTI Identifier:: 1188640

DOI:: https://doi.org/10.17188/1188640

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                    The Materials Project. Materials Data on NaS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188640.

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                    The Materials Project. Materials Data on NaS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188640

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                    The Materials Project. 2020.  
"Materials Data on NaS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188640.  https://www.osti.gov/servlets/purl/1188640. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1188640,

  title        = {Materials Data on NaS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.},

  doi          = {10.17188/1188640},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188640

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