Materials Data on Re2O7 by Materials Project

doi:10.17188/1320542

Title: Materials Data on Re2O7 by Materials Project

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Abstract

Re2O7 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Re2O7 sheets oriented in the (0, 1, 0) direction. Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 13–25°. There are a spread of Re–O bond distances ranging from 1.74–1.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re7+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mvc-3381

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; Re2O7; O-Re

OSTI Identifier:: 1320542

DOI:: https://doi.org/10.17188/1320542

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                    The Materials Project. Materials Data on Re2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320542.

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                    The Materials Project. Materials Data on Re2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320542

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                    The Materials Project. 2020.  
"Materials Data on Re2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320542.  https://www.osti.gov/servlets/purl/1320542. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1320542,

  title        = {Materials Data on Re2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re2O7 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Re2O7 sheets oriented in the (0, 1, 0) direction. Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 13–25°. There are a spread of Re–O bond distances ranging from 1.74–1.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re7+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms.},

  doi          = {10.17188/1320542},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1320542

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