Materials Data on SmS2 by Materials Project

doi:10.17188/1744737

Title: Materials Data on SmS2 by Materials Project

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Abstract

SmS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.82–3.12 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and one S+1.50- atom. The S–S bond length is 2.16 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1232280

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; SmS2; S-Sm

OSTI Identifier:: 1744737

DOI:: https://doi.org/10.17188/1744737

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                    The Materials Project. Materials Data on SmS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744737.

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                    The Materials Project. Materials Data on SmS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744737

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                    The Materials Project. 2020.  
"Materials Data on SmS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744737.  https://www.osti.gov/servlets/purl/1744737. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744737,

  title        = {Materials Data on SmS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.82–3.12 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and one S+1.50- atom. The S–S bond length is 2.16 Å.},

  doi          = {10.17188/1744737},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744737

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