Materials Data on CuSeO4 by Materials Project

doi:10.17188/1267706

Title: Materials Data on CuSeO4 by Materials Project

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Abstract

CuSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.36 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Se–O bond distances ranging from 1.66–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one Se6+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-554040

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; CuSeO4; Cu-O-Se

OSTI Identifier:: 1267706

DOI:: https://doi.org/10.17188/1267706

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                    The Materials Project. Materials Data on CuSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267706.

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                    The Materials Project. Materials Data on CuSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267706

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                    The Materials Project. 2020.  
"Materials Data on CuSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267706.  https://www.osti.gov/servlets/purl/1267706. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1267706,

  title        = {Materials Data on CuSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.36 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Se–O bond distances ranging from 1.66–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one Se6+ atom.},

  doi          = {10.17188/1267706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267706

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