Materials Data on LaTm(Ge2Ir)2 by Materials Project

doi:10.17188/1192257

Title: Materials Data on LaTm(Ge2Ir)2 by Materials Project

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Abstract

TmLa(IrGe2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.23 Å) and four longer (3.27 Å) Tm–Ir bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.97–3.49 Å. La is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All La–Ir bond lengths are 3.26 Å. There are a spread of La–Ge bond distances ranging from 3.32–3.44 Å. Ir is bonded in a 10-coordinate geometry to three equivalent Tm, two equivalent La, and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.60 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to three equivalent Tm, one La, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.70 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to one Tm, four equivalent La, and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tm, four equivalent La, two equivalent Ir,more »« less

Publication Date:: 2020-07-14

Other Number(s):: mp-16965

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ge-Ir-La-Tm; LaTm(Ge2Ir)2; crystal structure

OSTI Identifier:: 1192257

DOI:: https://doi.org/10.17188/1192257

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                    Materials Data on LaTm(Ge2Ir)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192257.

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                    Materials Data on LaTm(Ge2Ir)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192257

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                    2020.  
"Materials Data on LaTm(Ge2Ir)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192257.  https://www.osti.gov/servlets/purl/1192257. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192257,

  title        = {Materials Data on LaTm(Ge2Ir)2 by Materials Project},

  
  abstractNote = {TmLa(IrGe2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.23 Å) and four longer (3.27 Å) Tm–Ir bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.97–3.49 Å. La is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All La–Ir bond lengths are 3.26 Å. There are a spread of La–Ge bond distances ranging from 3.32–3.44 Å. Ir is bonded in a 10-coordinate geometry to three equivalent Tm, two equivalent La, and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.60 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to three equivalent Tm, one La, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.70 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to one Tm, four equivalent La, and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tm, four equivalent La, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.60 Å.},

  doi          = {10.17188/1192257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192257

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