Materials Data on Tb7FeI12 by Materials Project

doi:10.17188/1655601

Title: Materials Data on Tb7FeI12 by Materials Project

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Abstract

Tb7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. In the second Tb site, Tb is bonded to one Fe and five I atoms to form distorted TbFeI5 octahedra that share corners with three equivalent TbFeI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tb–Fe bond length is 2.62 Å. There are a spread of Tb–I bond distances ranging from 3.10–3.46 Å. Fe is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1105605

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; Tb7FeI12; Fe-I-Tb

OSTI Identifier:: 1655601

DOI:: https://doi.org/10.17188/1655601

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                    The Materials Project. Materials Data on Tb7FeI12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655601.

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                    The Materials Project. Materials Data on Tb7FeI12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655601

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                    The Materials Project. 2020.  
"Materials Data on Tb7FeI12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655601.  https://www.osti.gov/servlets/purl/1655601. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1655601,

  title        = {Materials Data on Tb7FeI12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. In the second Tb site, Tb is bonded to one Fe and five I atoms to form distorted TbFeI5 octahedra that share corners with three equivalent TbFeI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tb–Fe bond length is 2.62 Å. There are a spread of Tb–I bond distances ranging from 3.10–3.46 Å. Fe is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.},

  doi          = {10.17188/1655601},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655601

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