Materials Data on NaMoO3 by Materials Project

doi:10.17188/1405337

Title: Materials Data on NaMoO3 by Materials Project

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Abstract

NaMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. All Na–O bond lengths are 2.79 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.97 Å. O2- is bonded to four equivalent Na1+ and two equivalent Mo5+ atoms to form a mixture of distorted edge, face, and corner-sharing ONa4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1040471

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; NaMoO3; Mo-Na-O

OSTI Identifier:: 1405337

DOI:: https://doi.org/10.17188/1405337

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                    The Materials Project. Materials Data on NaMoO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1405337.

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                    The Materials Project. Materials Data on NaMoO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1405337

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                    The Materials Project. 2020.  
"Materials Data on NaMoO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1405337.  https://www.osti.gov/servlets/purl/1405337. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1405337,

  title        = {Materials Data on NaMoO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. All Na–O bond lengths are 2.79 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.97 Å. O2- is bonded to four equivalent Na1+ and two equivalent Mo5+ atoms to form a mixture of distorted edge, face, and corner-sharing ONa4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1405337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1405337

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