Materials Data on Cd4Mo3WO16 by Materials Project

doi:10.17188/1731858

Title: Materials Data on Cd4Mo3WO16 by Materials Project

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Abstract

WMo3Cd4O16 is Zircon-derived structured and crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.44–2.47 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.47 Å) Cd–O bond lengths. In the third Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.47 Å) Cd–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226872

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; Cd4Mo3WO16; Cd-Mo-O-W

OSTI Identifier:: 1731858

DOI:: https://doi.org/10.17188/1731858

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                    The Materials Project. Materials Data on Cd4Mo3WO16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731858.

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                    The Materials Project. Materials Data on Cd4Mo3WO16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731858

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                    The Materials Project. 2020.  
"Materials Data on Cd4Mo3WO16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731858.  https://www.osti.gov/servlets/purl/1731858. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1731858,

  title        = {Materials Data on Cd4Mo3WO16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WMo3Cd4O16 is Zircon-derived structured and crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.44–2.47 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.47 Å) Cd–O bond lengths. In the third Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.47 Å) Cd–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Cd2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Cd2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two Cd2+ atoms.},

  doi          = {10.17188/1731858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731858

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