Materials Data on Tm2Ga3Ni by Materials Project

doi:10.17188/1718257

Title: Materials Data on Tm2Ga3Ni by Materials Project

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Abstract

Tm2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Tm–Ni bond lengths are 3.16 Å. There are a spread of Tm–Ga bond distances ranging from 2.96–3.23 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.97–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.65 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216720

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; Tm2Ga3Ni; Ga-Ni-Tm

OSTI Identifier:: 1718257

DOI:: https://doi.org/10.17188/1718257

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                    The Materials Project. Materials Data on Tm2Ga3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718257.

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                    The Materials Project. Materials Data on Tm2Ga3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1718257

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ga3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1718257.  https://www.osti.gov/servlets/purl/1718257. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1718257,

  title        = {Materials Data on Tm2Ga3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Tm–Ni bond lengths are 3.16 Å. There are a spread of Tm–Ga bond distances ranging from 2.96–3.23 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.97–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.65 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms.},

  doi          = {10.17188/1718257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1718257

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