Materials Data on TaMn2 by Materials Project

doi:10.17188/1183742

Title: Materials Data on TaMn2 by Materials Project

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Abstract

TaMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta and twelve Mn atoms. All Ta–Ta bond lengths are 2.95 Å. All Ta–Mn bond lengths are 2.82 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Ta and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.44 Å. In the second Mn site, Mn is bonded to six equivalent Ta and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. There are two shorter (2.33 Å) and two longer (2.48 Å) Mn–Mn bond lengths.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-12678

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; TaMn2; Mn-Ta

OSTI Identifier:: 1183742

DOI:: https://doi.org/10.17188/1183742

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                    The Materials Project. Materials Data on TaMn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183742.

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                    The Materials Project. Materials Data on TaMn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1183742

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                    The Materials Project. 2020.  
"Materials Data on TaMn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1183742.  https://www.osti.gov/servlets/purl/1183742. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1183742,

  title        = {Materials Data on TaMn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta and twelve Mn atoms. All Ta–Ta bond lengths are 2.95 Å. All Ta–Mn bond lengths are 2.82 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Ta and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.44 Å. In the second Mn site, Mn is bonded to six equivalent Ta and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. There are two shorter (2.33 Å) and two longer (2.48 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1183742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1183742

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