Materials Data on Tm9(FeGe)10 by Materials Project

doi:10.17188/1207946

Title: Materials Data on Tm9(FeGe)10 by Materials Project

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Abstract

Tm9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.19 Å) Tm–Fe bond lengths. Both Tm–Ge bond lengths are 2.91 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Fe and six Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.87–3.21 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.94 Å) and four longer (3.10 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.81–3.05 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.08 Å) and two longer (3.25 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.91–3.06 Å. There are two inequivalent Fe sites. In the first Fe site,more »« less

Publication Date:: 2020-07-22

Other Number(s):: mp-4193

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; crystal structure; Fe-Ge-Tm; Tm9(FeGe)10

OSTI Identifier:: 1207946

DOI:: https://doi.org/10.17188/1207946

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                    Materials Data on Tm9(FeGe)10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207946.

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                    Materials Data on Tm9(FeGe)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207946

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                    2020.  
"Materials Data on Tm9(FeGe)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207946.  https://www.osti.gov/servlets/purl/1207946. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1207946,

  title        = {Materials Data on Tm9(FeGe)10 by Materials Project},

  
  abstractNote = {Tm9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.19 Å) Tm–Fe bond lengths. Both Tm–Ge bond lengths are 2.91 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Fe and six Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.87–3.21 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.94 Å) and four longer (3.10 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.81–3.05 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.08 Å) and two longer (3.25 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.91–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Tm, five Fe, and two equivalent Ge atoms. There are four shorter (2.46 Å) and one longer (2.60 Å) Fe–Fe bond lengths. Both Fe–Ge bond lengths are 2.62 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to five Tm, three Fe, and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.76 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.46–2.55 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Tm and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Tm and six Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms.},

  doi          = {10.17188/1207946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207946

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