Materials Data on Cr2CoSe4 by Materials Project

doi:10.17188/1282925

Title: Materials Data on Cr2CoSe4 by Materials Project

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Abstract

CoCr2Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to one Co2+ and five Se2- atoms. The Cr–Co bond length is 1.91 Å. There are a spread of Cr–Se bond distances ranging from 2.24–3.27 Å. Co2+ is bonded in a square co-planar geometry to two equivalent Cr3+ and two equivalent Se2- atoms. Both Co–Se bond lengths are 2.19 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cr3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Cr3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Nov 12 00:00:00 EST 2013

Other Number(s):: mp-676073

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; Cr2CoSe4; Co-Cr-Se

OSTI Identifier:: 1282925

DOI:: https://doi.org/10.17188/1282925

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                    The Materials Project. Materials Data on Cr2CoSe4 by Materials Project.  United States: N. p., 2013. 
        Web.  doi:10.17188/1282925.

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                    The Materials Project. Materials Data on Cr2CoSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282925

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                    The Materials Project. 2013.  
"Materials Data on Cr2CoSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282925.  https://www.osti.gov/servlets/purl/1282925. Pub date:Tue Nov 12 00:00:00 EST 2013

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@article{osti_1282925,

  title        = {Materials Data on Cr2CoSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoCr2Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to one Co2+ and five Se2- atoms. The Cr–Co bond length is 1.91 Å. There are a spread of Cr–Se bond distances ranging from 2.24–3.27 Å. Co2+ is bonded in a square co-planar geometry to two equivalent Cr3+ and two equivalent Se2- atoms. Both Co–Se bond lengths are 2.19 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cr3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Cr3+ atoms.},

  doi          = {10.17188/1282925},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Nov 12 00:00:00 EST 2013},

  month        = {Tue Nov 12 00:00:00 EST 2013}

}

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DOI: https://doi.org/10.17188/1282925

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