Materials Data on PrTl(MoO4)2 by Materials Project

doi:10.17188/1194638

Title: Materials Data on PrTl(MoO4)2 by Materials Project

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Abstract

TlPr(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.64 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.85–3.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pr3+, one Mo6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Mo6+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-19490

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; PrTl(MoO4)2; Mo-O-Pr-Tl

OSTI Identifier:: 1194638

DOI:: https://doi.org/10.17188/1194638

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                    The Materials Project. Materials Data on PrTl(MoO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194638.

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                    The Materials Project. Materials Data on PrTl(MoO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194638

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                    The Materials Project. 2020.  
"Materials Data on PrTl(MoO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194638.  https://www.osti.gov/servlets/purl/1194638. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194638,

  title        = {Materials Data on PrTl(MoO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlPr(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.64 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.85–3.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pr3+, one Mo6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Mo6+ atom.},

  doi          = {10.17188/1194638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194638

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