Materials Data on CuSe2Br by Materials Project

doi:10.17188/1204022

Title: Materials Data on CuSe2Br by Materials Project

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Abstract

CuSe2Br crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuSe2Br ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Se1- and two equivalent Br1- atoms to form corner-sharing CuSe2Br2 tetrahedra. Both Cu–Se bond lengths are 2.39 Å. Both Cu–Br bond lengths are 2.45 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. In the second Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. Br1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-29567

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; CuSe2Br; Br-Cu-Se

OSTI Identifier:: 1204022

DOI:: https://doi.org/10.17188/1204022

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                    The Materials Project. Materials Data on CuSe2Br by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204022.

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                    The Materials Project. Materials Data on CuSe2Br by Materials Project.  United States.  doi:https://doi.org/10.17188/1204022

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                    The Materials Project. 2020.  
"Materials Data on CuSe2Br by Materials Project".  United States.  doi:https://doi.org/10.17188/1204022.  https://www.osti.gov/servlets/purl/1204022. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204022,

  title        = {Materials Data on CuSe2Br by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuSe2Br crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuSe2Br ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Se1- and two equivalent Br1- atoms to form corner-sharing CuSe2Br2 tetrahedra. Both Cu–Se bond lengths are 2.39 Å. Both Cu–Br bond lengths are 2.45 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. In the second Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. Br1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.},

  doi          = {10.17188/1204022},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204022

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