Materials Data on Tb4CdIr by Materials Project

doi:10.17188/1652536

Title: Materials Data on Tb4CdIr by Materials Project

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Abstract

Tb4IrCd 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 Cd atoms. All Tb–Ir bond lengths are 2.84 Å. All Tb–Cd bond lengths are 3.46 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Tb–Ir bond lengths are 2.83 Å. Both Tb–Cd bond lengths are 3.52 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Tb–Ir bond lengths are 3.50 Å. Both Tb–Cd bond lengths are 3.28 Å. Ir 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 3.15 Å.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1208463

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; Tb4CdIr; Cd-Ir-Tb

OSTI Identifier:: 1652536

DOI:: https://doi.org/10.17188/1652536

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                    The Materials Project. Materials Data on Tb4CdIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652536.

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                    The Materials Project. Materials Data on Tb4CdIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1652536

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                    The Materials Project. 2020.  
"Materials Data on Tb4CdIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1652536.  https://www.osti.gov/servlets/purl/1652536. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1652536,

  title        = {Materials Data on Tb4CdIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4IrCd 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 Cd atoms. All Tb–Ir bond lengths are 2.84 Å. All Tb–Cd bond lengths are 3.46 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Tb–Ir bond lengths are 2.83 Å. Both Tb–Cd bond lengths are 3.52 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Tb–Ir bond lengths are 3.50 Å. Both Tb–Cd bond lengths are 3.28 Å. Ir 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 3.15 Å.},

  doi          = {10.17188/1652536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1652536

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