Materials Data on Mo3NO9 by Materials Project

doi:10.17188/1683180

Title: Materials Data on Mo3NO9 by Materials Project

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Abstract

(MoO3)6N2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two ammonia molecules and one MoO3 framework. In the MoO3 framework, Mo5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1193311

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; Mo3NO9; Mo-N-O

OSTI Identifier:: 1683180

DOI:: https://doi.org/10.17188/1683180

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                    The Materials Project. Materials Data on Mo3NO9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1683180.

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                    The Materials Project. Materials Data on Mo3NO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683180

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                    The Materials Project. 2019.  
"Materials Data on Mo3NO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683180.  https://www.osti.gov/servlets/purl/1683180. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1683180,

  title        = {Materials Data on Mo3NO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(MoO3)6N2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two ammonia molecules and one MoO3 framework. In the MoO3 framework, Mo5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom.},

  doi          = {10.17188/1683180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1683180

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