Materials Data on Tb4InIr by Materials Project

doi:10.17188/1272983

Title: Materials Data on Tb4InIr by Materials Project

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Abstract

Tb4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Tb–Ir bond lengths are 2.86 Å. All Tb–In bond lengths are 3.47 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 2.83 Å. Both Tb–In bond lengths are 3.49 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 3.48 Å. Both Tb–In bond lengths are 3.27 Å. Ir is bonded in a 6-coordinate geometry to nine Tb atoms. In is bonded in a 12-coordinate geometry to nine Tb and three equivalent In atoms. All In–In bond lengths are 3.21 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-604378

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; Tb4InIr; In-Ir-Tb

OSTI Identifier:: 1272983

DOI:: https://doi.org/10.17188/1272983

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                    The Materials Project. Materials Data on Tb4InIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272983.

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                    The Materials Project. Materials Data on Tb4InIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1272983

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                    The Materials Project. 2020.  
"Materials Data on Tb4InIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1272983.  https://www.osti.gov/servlets/purl/1272983. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1272983,

  title        = {Materials Data on Tb4InIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Tb–Ir bond lengths are 2.86 Å. All Tb–In bond lengths are 3.47 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 2.83 Å. Both Tb–In bond lengths are 3.49 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 3.48 Å. Both Tb–In bond lengths are 3.27 Å. Ir is bonded in a 6-coordinate geometry to nine Tb atoms. In is bonded in a 12-coordinate geometry to nine Tb and three equivalent In atoms. All In–In bond lengths are 3.21 Å.},

  doi          = {10.17188/1272983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272983

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