Materials Data on TeMo6 by Materials Project

doi:10.17188/1662332

Title: Materials Data on TeMo6 by Materials Project

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Abstract

TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to eight Mo and two equivalent Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–3.13 Å. There are one shorter (2.80 Å) and one longer (3.11 Å) Mo–Te bond lengths. In the second Mo site, Mo is bonded to twelve Mo atoms to form a mixture of distorted face and corner-sharing MoMo12 cuboctahedra. There are two shorter (2.67 Å) and two longer (2.68 Å) Mo–Mo bond lengths. Te is bonded in a 8-coordinate geometry to eight equivalent Mo atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1179059

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; TeMo6; Mo-Te

OSTI Identifier:: 1662332

DOI:: https://doi.org/10.17188/1662332

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                    The Materials Project. Materials Data on TeMo6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662332.

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                    The Materials Project. Materials Data on TeMo6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662332

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                    The Materials Project. 2020.  
"Materials Data on TeMo6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662332.  https://www.osti.gov/servlets/purl/1662332. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1662332,

  title        = {Materials Data on TeMo6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to eight Mo and two equivalent Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–3.13 Å. There are one shorter (2.80 Å) and one longer (3.11 Å) Mo–Te bond lengths. In the second Mo site, Mo is bonded to twelve Mo atoms to form a mixture of distorted face and corner-sharing MoMo12 cuboctahedra. There are two shorter (2.67 Å) and two longer (2.68 Å) Mo–Mo bond lengths. Te is bonded in a 8-coordinate geometry to eight equivalent Mo atoms.},

  doi          = {10.17188/1662332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662332

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