Materials Data on Rb2W2O7 by Materials Project

doi:10.17188/1193968

Title: Materials Data on Rb2W2O7 by Materials Project

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Abstract

Rb2W2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.06 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of W–O bond distances ranging from 1.81–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded to two equivalent Rb1+ and two equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing ORb2W2 tetrahedra. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Apr 24 00:00:00 EDT 2020

Other Number(s):: mp-19144

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; Rb2W2O7; O-Rb-W

OSTI Identifier:: 1193968

DOI:: https://doi.org/10.17188/1193968

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                    The Materials Project. Materials Data on Rb2W2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193968.

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                    The Materials Project. Materials Data on Rb2W2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193968

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                    The Materials Project. 2020.  
"Materials Data on Rb2W2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193968.  https://www.osti.gov/servlets/purl/1193968. Pub date:Fri Apr 24 00:00:00 EDT 2020

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@article{osti_1193968,

  title        = {Materials Data on Rb2W2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2W2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.06 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of W–O bond distances ranging from 1.81–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded to two equivalent Rb1+ and two equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing ORb2W2 tetrahedra. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.},

  doi          = {10.17188/1193968},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 24 00:00:00 EDT 2020},

  month        = {Fri Apr 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193968

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