Materials Data on MgCo2S5 by Materials Project

doi:10.17188/1318174

Title: Materials Data on MgCo2S5 by Materials Project

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Abstract

MgCo2S5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Mg–S bond distances ranging from 2.48–2.99 Å. Co4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing CoS5 trigonal bipyramids. There are a spread of Co–S bond distances ranging from 2.16–2.23 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Mg2+ and two equivalent Co4+ atoms to form corner-sharing SMg2Co2 tetrahedra. In the second S2- site, S2- is bonded in a distorted see-saw-like geometry to one Mg2+ and three equivalent Co4+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Co4+, and one S2- atom. The S–S bond length is 2.15 Å.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mvc-11317

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; MgCo2S5; Co-Mg-S

OSTI Identifier:: 1318174

DOI:: https://doi.org/10.17188/1318174

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                    The Materials Project. Materials Data on MgCo2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318174.

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                    The Materials Project. Materials Data on MgCo2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318174

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                    The Materials Project. 2020.  
"Materials Data on MgCo2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318174.  https://www.osti.gov/servlets/purl/1318174. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1318174,

  title        = {Materials Data on MgCo2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCo2S5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Mg–S bond distances ranging from 2.48–2.99 Å. Co4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing CoS5 trigonal bipyramids. There are a spread of Co–S bond distances ranging from 2.16–2.23 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Mg2+ and two equivalent Co4+ atoms to form corner-sharing SMg2Co2 tetrahedra. In the second S2- site, S2- is bonded in a distorted see-saw-like geometry to one Mg2+ and three equivalent Co4+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Co4+, and one S2- atom. The S–S bond length is 2.15 Å.},

  doi          = {10.17188/1318174},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1318174

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