Materials Data on TbFe6(Sn2Ge)2 by Materials Project

doi:10.17188/1711198

Title: Materials Data on TbFe6(Sn2Ge)2 by Materials Project

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Abstract

TbFe6Sn4Ge2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Fe, two equivalent Sn, and six equivalent Ge atoms to form distorted TbFe12Sn2Ge6 hexagonal bipyramids that share faces with twenty-four equivalent FeTb2Fe4Sn4Ge2 cuboctahedra and faces with six equivalent TbFe12Sn2Ge6 hexagonal bipyramids. All Tb–Fe bond lengths are 3.34 Å. Both Tb–Sn bond lengths are 2.94 Å. All Tb–Ge bond lengths are 3.06 Å. Fe is bonded to two equivalent Tb, four equivalent Fe, four Sn, and two equivalent Ge atoms to form distorted FeTb2Fe4Sn4Ge2 cuboctahedra that share corners with fourteen equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, edges with seven equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, faces with nine equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, and faces with four equivalent TbFe12Sn2Ge6 hexagonal bipyramids. All Fe–Fe bond lengths are 2.65 Å. There are two shorter (2.80 Å) and two longer (2.81 Å) Fe–Sn bond lengths. Both Fe–Ge bond lengths are 2.54 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to one Tb, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.85 Å.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1208394

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; TbFe6(Sn2Ge)2; Fe-Ge-Sn-Tb

OSTI Identifier:: 1711198

DOI:: https://doi.org/10.17188/1711198

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                    The Materials Project. Materials Data on TbFe6(Sn2Ge)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1711198.

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                    The Materials Project. Materials Data on TbFe6(Sn2Ge)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711198

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                    The Materials Project. 2019.  
"Materials Data on TbFe6(Sn2Ge)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711198.  https://www.osti.gov/servlets/purl/1711198. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1711198,

  title        = {Materials Data on TbFe6(Sn2Ge)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbFe6Sn4Ge2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Fe, two equivalent Sn, and six equivalent Ge atoms to form distorted TbFe12Sn2Ge6 hexagonal bipyramids that share faces with twenty-four equivalent FeTb2Fe4Sn4Ge2 cuboctahedra and faces with six equivalent TbFe12Sn2Ge6 hexagonal bipyramids. All Tb–Fe bond lengths are 3.34 Å. Both Tb–Sn bond lengths are 2.94 Å. All Tb–Ge bond lengths are 3.06 Å. Fe is bonded to two equivalent Tb, four equivalent Fe, four Sn, and two equivalent Ge atoms to form distorted FeTb2Fe4Sn4Ge2 cuboctahedra that share corners with fourteen equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, edges with seven equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, faces with nine equivalent FeTb2Fe4Sn4Ge2 cuboctahedra, and faces with four equivalent TbFe12Sn2Ge6 hexagonal bipyramids. All Fe–Fe bond lengths are 2.65 Å. There are two shorter (2.80 Å) and two longer (2.81 Å) Fe–Sn bond lengths. Both Fe–Ge bond lengths are 2.54 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to one Tb, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.85 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Fe atoms.},

  doi          = {10.17188/1711198},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1711198

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