Materials Data on TbMn12 by Materials Project

doi:10.17188/1272704

Title: Materials Data on TbMn12 by Materials Project

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Abstract

TbMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Tb–Mn bond distances ranging from 3.00–3.17 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tb and ten Mn atoms to form a mixture of corner, edge, and face-sharing MnTb2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.32–2.56 Å. In the second Mn site, Mn is bonded to two equivalent Tb and ten Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnTb2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.54–2.70 Å. In the third Mn site, Mn is bonded in a 10-coordinate geometry to one Tb and thirteen Mn atoms. There are one shorter (2.31 Å) and four longer (2.84 Å) Mn–Mn bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-972084

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; TbMn12; Mn-Tb

OSTI Identifier:: 1272704

DOI:: https://doi.org/10.17188/1272704

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                    The Materials Project. Materials Data on TbMn12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272704.

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                    The Materials Project. Materials Data on TbMn12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272704

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                    The Materials Project. 2020.  
"Materials Data on TbMn12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272704.  https://www.osti.gov/servlets/purl/1272704. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1272704,

  title        = {Materials Data on TbMn12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Tb–Mn bond distances ranging from 3.00–3.17 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tb and ten Mn atoms to form a mixture of corner, edge, and face-sharing MnTb2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.32–2.56 Å. In the second Mn site, Mn is bonded to two equivalent Tb and ten Mn atoms to form a mixture of distorted corner, edge, and face-sharing MnTb2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.54–2.70 Å. In the third Mn site, Mn is bonded in a 10-coordinate geometry to one Tb and thirteen Mn atoms. There are one shorter (2.31 Å) and four longer (2.84 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1272704},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272704

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