Materials Data on Tb3Ga8Rh3 by Materials Project

doi:10.17188/1741768

Title: Materials Data on Tb3Ga8Rh3 by Materials Project

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Abstract

Tb3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Rh and twelve Ga atoms to form distorted face-sharing TbGa12Rh4 cuboctahedra. All Tb–Rh bond lengths are 3.51 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Tb–Rh bond lengths. There are four shorter (3.07 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.63 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.61 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Rh, and threemore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1104593

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; Tb3Ga8Rh3; Ga-Rh-Tb

OSTI Identifier:: 1741768

DOI:: https://doi.org/10.17188/1741768

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                    The Materials Project. Materials Data on Tb3Ga8Rh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741768.

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                    The Materials Project. Materials Data on Tb3Ga8Rh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741768

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                    The Materials Project. 2020.  
"Materials Data on Tb3Ga8Rh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741768.  https://www.osti.gov/servlets/purl/1741768. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741768,

  title        = {Materials Data on Tb3Ga8Rh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Rh and twelve Ga atoms to form distorted face-sharing TbGa12Rh4 cuboctahedra. All Tb–Rh bond lengths are 3.51 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Tb–Rh bond lengths. There are four shorter (3.07 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.63 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.61 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.73 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.57 Å.},

  doi          = {10.17188/1741768},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741768

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