Materials Data on TbDy3Fe8 by Materials Project

doi:10.17188/1662230

Title: Materials Data on TbDy3Fe8 by Materials Project

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Abstract

Dy3TbFe8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Dy and twelve Fe atoms. All Dy–Dy bond lengths are 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, one Tb, and twelve Fe atoms. The Dy–Tb bond length is 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to one Dy, three equivalent Tb, and twelve Fe atoms. All Dy–Tb bond lengths are 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. Tb is bonded in a 12-coordinate geometry to four Dy and twelve Fe atoms. All Tb–Fe bond lengths are 3.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to four Dy, two equivalent Tb, and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTb2Dy4Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å. In the second Fe site, Fe is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1217585

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; TbDy3Fe8; Dy-Fe-Tb

OSTI Identifier:: 1662230

DOI:: https://doi.org/10.17188/1662230

Citation Formats


                    The Materials Project. Materials Data on TbDy3Fe8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662230.

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                    The Materials Project. Materials Data on TbDy3Fe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662230

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                    The Materials Project. 2019.  
"Materials Data on TbDy3Fe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662230.  https://www.osti.gov/servlets/purl/1662230. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662230,

  title        = {Materials Data on TbDy3Fe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3TbFe8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four Dy and twelve Fe atoms. All Dy–Dy bond lengths are 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, one Tb, and twelve Fe atoms. The Dy–Tb bond length is 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to one Dy, three equivalent Tb, and twelve Fe atoms. All Dy–Tb bond lengths are 3.16 Å. All Dy–Fe bond lengths are 3.02 Å. Tb is bonded in a 12-coordinate geometry to four Dy and twelve Fe atoms. All Tb–Fe bond lengths are 3.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to four Dy, two equivalent Tb, and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTb2Dy4Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to five Dy, one Tb, and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTbDy5Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å. In the third Fe site, Fe is bonded to three equivalent Dy, three equivalent Tb, and six Fe atoms to form FeTb3Dy3Fe6 cuboctahedra that share corners with eighteen FeTb2Dy4Fe6 cuboctahedra, edges with six equivalent FeTb3Dy3Fe6 cuboctahedra, and faces with eighteen FeTb2Dy4Fe6 cuboctahedra. In the fourth Fe site, Fe is bonded to six Dy and six Fe atoms to form FeDy6Fe6 cuboctahedra that share corners with eighteen FeTb2Dy4Fe6 cuboctahedra, edges with six equivalent FeDy6Fe6 cuboctahedra, and faces with eighteen FeTb2Dy4Fe6 cuboctahedra.},

  doi          = {10.17188/1662230},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1662230

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