Materials Data on CoAsS by Materials Project

doi:10.17188/1277741

Title: Materials Data on CoAsS by Materials Project

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Abstract

CoAsS crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one CoAsS sheet oriented in the (0, 1, 0) direction. Co3+ is bonded in a 5-coordinate geometry to three equivalent As1- and two equivalent S2- atoms. There are a spread of Co–As bond distances ranging from 2.34–2.46 Å. There are one shorter (2.14 Å) and one longer (2.20 Å) Co–S bond lengths. As1- is bonded in a 4-coordinate geometry to three equivalent Co3+ and one S2- atom. The As–S bond length is 2.40 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one As1- atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-613314

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; CoAsS; As-Co-S

OSTI Identifier:: 1277741

DOI:: https://doi.org/10.17188/1277741

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                    The Materials Project. Materials Data on CoAsS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277741.

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                    The Materials Project. Materials Data on CoAsS by Materials Project.  United States.  doi:https://doi.org/10.17188/1277741

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                    The Materials Project. 2020.  
"Materials Data on CoAsS by Materials Project".  United States.  doi:https://doi.org/10.17188/1277741.  https://www.osti.gov/servlets/purl/1277741. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1277741,

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

  author       = {The Materials Project},

  abstractNote = {CoAsS crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one CoAsS sheet oriented in the (0, 1, 0) direction. Co3+ is bonded in a 5-coordinate geometry to three equivalent As1- and two equivalent S2- atoms. There are a spread of Co–As bond distances ranging from 2.34–2.46 Å. There are one shorter (2.14 Å) and one longer (2.20 Å) Co–S bond lengths. As1- is bonded in a 4-coordinate geometry to three equivalent Co3+ and one S2- atom. The As–S bond length is 2.40 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one As1- atom.},

  doi          = {10.17188/1277741},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277741

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