Materials Data on Tm2Ga2Fe15 by Materials Project

doi:10.17188/1664210

Title: Materials Data on Tm2Ga2Fe15 by Materials Project

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Abstract

Tm2Fe15Ga2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Tm–Fe bond distances ranging from 2.91–3.23 Å. In the second Tm site, Tm is bonded in a 8-coordinate geometry to eighteen Fe and two equivalent Ga atoms. There are a spread of Tm–Fe bond distances ranging from 2.93–3.20 Å. Both Tm–Ga bond lengths are 2.92 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tm, eight Fe, and two equivalent Ga atoms to form FeTm2Ga2Fe8 cuboctahedra that share corners with fourteen FeTm2Ga2Fe8 cuboctahedra, edges with six equivalent FeTm3GaFe8 cuboctahedra, and faces with ten FeTm2Ga2Fe8 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.47 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two Tm, eight Fe, and two equivalent Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.54–2.59 Å. Both Fe–Ga bond lengths are 2.86 Å. In the third Fe site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-1203778

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; Tm2Ga2Fe15; Fe-Ga-Tm

OSTI Identifier:: 1664210

DOI:: https://doi.org/10.17188/1664210

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                    The Materials Project. Materials Data on Tm2Ga2Fe15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664210.

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                    The Materials Project. Materials Data on Tm2Ga2Fe15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664210

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ga2Fe15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664210.  https://www.osti.gov/servlets/purl/1664210. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1664210,

  title        = {Materials Data on Tm2Ga2Fe15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2Fe15Ga2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Tm–Fe bond distances ranging from 2.91–3.23 Å. In the second Tm site, Tm is bonded in a 8-coordinate geometry to eighteen Fe and two equivalent Ga atoms. There are a spread of Tm–Fe bond distances ranging from 2.93–3.20 Å. Both Tm–Ga bond lengths are 2.92 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tm, eight Fe, and two equivalent Ga atoms to form FeTm2Ga2Fe8 cuboctahedra that share corners with fourteen FeTm2Ga2Fe8 cuboctahedra, edges with six equivalent FeTm3GaFe8 cuboctahedra, and faces with ten FeTm2Ga2Fe8 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.47 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two Tm, eight Fe, and two equivalent Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.54–2.59 Å. Both Fe–Ga bond lengths are 2.86 Å. In the third Fe site, Fe is bonded to three Tm, eight Fe, and one Ga atom to form a mixture of distorted edge, face, and corner-sharing FeTm3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.40 Å. The Fe–Ga bond length is 2.62 Å. Ga is bonded in a 8-coordinate geometry to one Tm, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.53 Å.},

  doi          = {10.17188/1664210},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1664210

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