Materials Data on GdTc3 by Materials Project

doi:10.17188/1662765

Title: Materials Data on GdTc3 by Materials Project

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Abstract

GdTc3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. There are three inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to four Gd3+ and four Tc1- atoms to form a mixture of distorted edge, corner, and face-sharing TcGd4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.80 Å. In the second Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms. In the third Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1184715

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; GdTc3; Gd-Tc

OSTI Identifier:: 1662765

DOI:: https://doi.org/10.17188/1662765

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                    The Materials Project. Materials Data on GdTc3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662765.

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                    The Materials Project. Materials Data on GdTc3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662765

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                    The Materials Project. 2019.  
"Materials Data on GdTc3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662765.  https://www.osti.gov/servlets/purl/1662765. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1662765,

  title        = {Materials Data on GdTc3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdTc3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. There are three inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to four Gd3+ and four Tc1- atoms to form a mixture of distorted edge, corner, and face-sharing TcGd4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.80 Å. In the second Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms. In the third Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms.},

  doi          = {10.17188/1662765},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662765

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