Materials Data on TbCd3 by Materials Project

doi:10.17188/1204902

Title: Materials Data on TbCd3 by Materials Project

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Abstract

TbCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve Cd atoms to form a mixture of corner and face-sharing TbCd12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Tb–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.12–3.42 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-30498

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; TbCd3; Cd-Tb

OSTI Identifier:: 1204902

DOI:: https://doi.org/10.17188/1204902

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                    The Materials Project. Materials Data on TbCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204902.

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                    The Materials Project. Materials Data on TbCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204902

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                    The Materials Project. 2020.  
"Materials Data on TbCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204902.  https://www.osti.gov/servlets/purl/1204902. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204902,

  title        = {Materials Data on TbCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve Cd atoms to form a mixture of corner and face-sharing TbCd12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Tb–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.12–3.42 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms.},

  doi          = {10.17188/1204902},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204902

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