Materials Data on Cr2SeS by Materials Project

doi:10.17188/1745214

Title: Materials Data on Cr2SeS by Materials Project

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Abstract

Cr2SeS is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of face, edge, and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. All Cr–Se bond lengths are 2.63 Å. All Cr–S bond lengths are 2.57 Å. Se2- is bonded to six equivalent Cr2+ atoms to form distorted edge-sharing SeCr6 pentagonal pyramids. S2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1226267

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; Cr2SeS; Cr-S-Se

OSTI Identifier:: 1745214

DOI:: https://doi.org/10.17188/1745214

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                    The Materials Project. Materials Data on Cr2SeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745214.

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                    The Materials Project. Materials Data on Cr2SeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1745214

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                    The Materials Project. 2020.  
"Materials Data on Cr2SeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1745214.  https://www.osti.gov/servlets/purl/1745214. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1745214,

  title        = {Materials Data on Cr2SeS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2SeS is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of face, edge, and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. All Cr–Se bond lengths are 2.63 Å. All Cr–S bond lengths are 2.57 Å. Se2- is bonded to six equivalent Cr2+ atoms to form distorted edge-sharing SeCr6 pentagonal pyramids. S2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.},

  doi          = {10.17188/1745214},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745214

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