Materials Data on Tb(MnAl2)4 by Materials Project

doi:10.17188/1707254

Title: Materials Data on Tb(MnAl2)4 by Materials Project

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Abstract

TbMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Tb–Mn bond lengths are 3.36 Å. There are four shorter (2.96 Å) and eight longer (3.25 Å) Tb–Al bond lengths. Mn is bonded to two equivalent Tb, two equivalent Mn, and eight Al atoms to form distorted MnTb2Mn2Al8 cuboctahedra that share corners with eight equivalent AlTb2Mn4Al6 cuboctahedra, corners with ten equivalent MnTb2Mn2Al8 cuboctahedra, edges with four equivalent MnTb2Mn2Al8 cuboctahedra, edges with four equivalent AlTb2Mn4Al6 cuboctahedra, faces with six equivalent MnTb2Mn2Al8 cuboctahedra, and faces with eight equivalent AlTb2Mn4Al6 cuboctahedra. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.56 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.87 Å. In the second Al site, Al is bonded to two equivalent Tb, four equivalent Mn, and six Al atoms to form distorted AlTb2Mn4Al6 cuboctahedra that share corners with eight equivalent MnTb2Mn2Al8 cuboctahedra, cornersmore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104796

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; Tb(MnAl2)4; Al-Mn-Tb

OSTI Identifier:: 1707254

DOI:: https://doi.org/10.17188/1707254

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                    The Materials Project. Materials Data on Tb(MnAl2)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1707254.

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                    The Materials Project. Materials Data on Tb(MnAl2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707254

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                    The Materials Project. 2018.  
"Materials Data on Tb(MnAl2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707254.  https://www.osti.gov/servlets/purl/1707254. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1707254,

  title        = {Materials Data on Tb(MnAl2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to eight equivalent Mn and twelve Al atoms. All Tb–Mn bond lengths are 3.36 Å. There are four shorter (2.96 Å) and eight longer (3.25 Å) Tb–Al bond lengths. Mn is bonded to two equivalent Tb, two equivalent Mn, and eight Al atoms to form distorted MnTb2Mn2Al8 cuboctahedra that share corners with eight equivalent AlTb2Mn4Al6 cuboctahedra, corners with ten equivalent MnTb2Mn2Al8 cuboctahedra, edges with four equivalent MnTb2Mn2Al8 cuboctahedra, edges with four equivalent AlTb2Mn4Al6 cuboctahedra, faces with six equivalent MnTb2Mn2Al8 cuboctahedra, and faces with eight equivalent AlTb2Mn4Al6 cuboctahedra. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.56 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.87 Å. In the second Al site, Al is bonded to two equivalent Tb, four equivalent Mn, and six Al atoms to form distorted AlTb2Mn4Al6 cuboctahedra that share corners with eight equivalent MnTb2Mn2Al8 cuboctahedra, corners with ten equivalent AlTb2Mn4Al6 cuboctahedra, edges with three equivalent AlTb2Mn4Al6 cuboctahedra, edges with four equivalent MnTb2Mn2Al8 cuboctahedra, faces with seven equivalent AlTb2Mn4Al6 cuboctahedra, and faces with eight equivalent MnTb2Mn2Al8 cuboctahedra. Both Al–Al bond lengths are 2.80 Å.},

  doi          = {10.17188/1707254},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1707254

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