Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project

doi:10.17188/1272617

Title: Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project

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Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Authors:: The Materials Project

Publication Date:: Wed Jul 09 00:00:00 EDT 2014

Other Number(s):: mp-603081

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; Eu1 Mo2 O8 Tl1; Eu-Mo-O-Tl; ICSD-152171

OSTI Identifier:: 1272617

DOI:: https://doi.org/10.17188/1272617

Citation Formats


                    The Materials Project. Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1272617.

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                    The Materials Project. Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project.  United States.  doi:https://doi.org/10.17188/1272617

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                    The Materials Project. 2014.  
"Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project".  United States.  doi:https://doi.org/10.17188/1272617.  https://www.osti.gov/servlets/purl/1272617. Pub date:Wed Jul 09 00:00:00 EDT 2014

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@article{osti_1272617,

  title        = {Materials Data on EuTl(MoO4)2 (SG:60) by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},

  doi          = {10.17188/1272617},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 09 00:00:00 EDT 2014},

  month        = {Wed Jul 09 00:00:00 EDT 2014}

}

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DOI: https://doi.org/10.17188/1272617

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Materials Data on EuTl(MoO4)2 by Materials Project

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EuTl(MoO4)2 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.44 Å. Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.80 Å. Tl1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Tl–O bond lengths are 3.10 Å. O2- is bonded in a 1-coordinate geometry to one Eu3+, one Mo6+, and one Tl1+ atom.
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