Materials Data on Mo3O10 by Materials Project

doi:10.17188/1677284

Title: Materials Data on Mo3O10 by Materials Project

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Abstract

Mo3O10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of one O2 ribbon oriented in the (0, 0, 1) direction and one MoO3 framework. In the O2 ribbon, O is bonded in a linear geometry to two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the MoO3 framework, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1180348

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; Mo3O10; Mo-O

OSTI Identifier:: 1677284

DOI:: https://doi.org/10.17188/1677284

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                    The Materials Project. Materials Data on Mo3O10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677284.

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                    The Materials Project. Materials Data on Mo3O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677284

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                    The Materials Project. 2019.  
"Materials Data on Mo3O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677284.  https://www.osti.gov/servlets/purl/1677284. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1677284,

  title        = {Materials Data on Mo3O10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo3O10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of one O2 ribbon oriented in the (0, 0, 1) direction and one MoO3 framework. In the O2 ribbon, O is bonded in a linear geometry to two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the MoO3 framework, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo atoms.},

  doi          = {10.17188/1677284},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677284

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