Materials Data on Te2MoO7 by Materials Project

doi:10.17188/1194465

Title: Materials Data on Te2MoO7 by Materials Project

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Abstract

MoTe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.18 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.13 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.23 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mo6+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-19453

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; Te2MoO7; Mo-O-Te

OSTI Identifier:: 1194465

DOI:: https://doi.org/10.17188/1194465

Citation Formats


                    The Materials Project. Materials Data on Te2MoO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194465.

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                    The Materials Project. Materials Data on Te2MoO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194465

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                    The Materials Project. 2020.  
"Materials Data on Te2MoO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194465.  https://www.osti.gov/servlets/purl/1194465. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1194465,

  title        = {Materials Data on Te2MoO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoTe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.18 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.13 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.23 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mo6+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.},

  doi          = {10.17188/1194465},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1194465

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