Materials Data on CuReO4 by Materials Project

doi:10.17188/1289808

Title: Materials Data on CuReO4 by Materials Project

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Abstract

CuReO4 is Brookite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.78–2.24 Å. Cu1+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.04–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-755115

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; CuReO4; Cu-O-Re

OSTI Identifier:: 1289808

DOI:: https://doi.org/10.17188/1289808

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                    The Materials Project. Materials Data on CuReO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289808.

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                    The Materials Project. Materials Data on CuReO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289808

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                    The Materials Project. 2020.  
"Materials Data on CuReO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289808.  https://www.osti.gov/servlets/purl/1289808. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289808,

  title        = {Materials Data on CuReO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuReO4 is Brookite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.78–2.24 Å. Cu1+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.04–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms.},

  doi          = {10.17188/1289808},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1289808

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