Materials Data on Tb4CdNi by Materials Project

doi:10.17188/1662774

Title: Materials Data on Tb4CdNi by Materials Project

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Abstract

Tb4NiCd 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 Ni and three equivalent Cd atoms. All Tb–Ni bond lengths are 2.80 Å. All Tb–Cd bond lengths are 3.44 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Tb–Ni bond lengths are 2.80 Å. Both Tb–Cd bond lengths are 3.49 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Tb–Ni bond lengths are 3.48 Å. Both Tb–Cd bond lengths are 3.24 Å. Ni is bonded in a 6-coordinate geometry to nine Tb atoms. Cd is bonded to nine Tb and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208455

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; Tb4CdNi; Cd-Ni-Tb

OSTI Identifier:: 1662774

DOI:: https://doi.org/10.17188/1662774

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                    The Materials Project. Materials Data on Tb4CdNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662774.

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                    The Materials Project. Materials Data on Tb4CdNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1662774

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                    The Materials Project. 2020.  
"Materials Data on Tb4CdNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1662774.  https://www.osti.gov/servlets/purl/1662774. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1662774,

  title        = {Materials Data on Tb4CdNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4NiCd 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 Ni and three equivalent Cd atoms. All Tb–Ni bond lengths are 2.80 Å. All Tb–Cd bond lengths are 3.44 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Tb–Ni bond lengths are 2.80 Å. Both Tb–Cd bond lengths are 3.49 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Tb–Ni bond lengths are 3.48 Å. Both Tb–Cd bond lengths are 3.24 Å. Ni is bonded in a 6-coordinate geometry to nine Tb atoms. Cd is bonded to nine Tb and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.},

  doi          = {10.17188/1662774},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1662774

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